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You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12
Toxic: <boolean>No</boolean>
Example 2:
Smiles: COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: Cc1c[nH]c2ccccc12
Toxic: <boolean>No</boolean>
Example 4:
Smiles: c1ccc2[nH]ccc2c1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): O=C(O)Cc1c[nH]c2ccccc12
Toxic:
|
<boolean>No</boolean>
|
O=C(O)Cc1c[nH]c2ccccc12
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CC(C)c1ccccc1O
Toxic:
|
<boolean>No</boolean>
|
CC(C)c1ccccc1O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): COc1cccc(OC)c1
Toxic:
|
<boolean>No</boolean>
|
COc1cccc(OC)c1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: CN(C)C(=O)C(c1ccccc1)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(CCC(=O)O)(c1ccc(O)cc1)c1ccc(O)cc1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
Toxic: <boolean>No</boolean>
Example 4:
Smiles: CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CC(C)(c1cc(Br)c(OCC(Br)CBr)c(Br)c1)c1cc(Br)c(OCC(Br)CBr)c(Br)c1
Toxic:
|
<boolean>No</boolean>
|
CC(C)(c1cc(Br)c(OCC(Br)CBr)c(Br)c1)c1cc(Br)c(OCC(Br)CBr)c(Br)c1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCOP(=O)(N=C1SCCS1)OCC
Toxic:
|
<boolean>No</boolean>
|
CCOP(=O)(N=C1SCCS1)OCC
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): OCc1ccc(Cl)cc1Cl
Toxic:
|
<boolean>No</boolean>
|
OCc1ccc(Cl)cc1Cl
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CNCCS(=O)(=O)[O-]
Toxic:
|
<boolean>No</boolean>
|
CNCCS(=O)(=O)[O-]
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=NN(c1ccccc1)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CNC(=O)N(c1ccccc1)c1ccccc1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): O=C([O-])c1ccccc1Nc1cc(Cl)ccc1C(=O)[O-]
Toxic:
|
<boolean>No</boolean>
|
O=C([O-])c1ccccc1Nc1cc(Cl)ccc1C(=O)[O-]
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=C1C(O)=C(O)C(=O)C(O)=C1O
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): O=C1C=CC(=O)C=C1
Toxic:
|
<boolean>No</boolean>
|
O=C1C=CC(=O)C=C1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1
Toxic: <boolean>Yes</boolean>
Example 2:
Smiles: COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21
Toxic: <boolean>No</boolean>
Example 4:
Smiles: CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1
Toxic:
|
<boolean>Yes</boolean>
|
C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1
Toxic:
|
<boolean>No</boolean>
|
Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CCOc1ccccc1O
Toxic:
|
<boolean>No</boolean>
|
CCOc1ccccc1O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: c1ccc(COCc2ccccc2)cc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: O=P(O)(OCc1ccccc1)OCc1ccccc1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): O=C(OCc1ccccc1)C(=O)OCc1ccccc1
Toxic:
|
<boolean>No</boolean>
|
O=C(OCc1ccccc1)C(=O)OCc1ccccc1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: CCN(Cc1ccc(Cl)nc1)/C(=C/[N+](=O)[O-])NC
Toxic: <boolean>No</boolean>
Example 2:
Smiles: Cc1ncc(CO)c(CO)c1O
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CC(=O)c1cccnc1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: NCc1cccnc1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Cc1cccnc1
Toxic:
|
<boolean>No</boolean>
|
Cc1cccnc1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CNCC(O)c1ccc(O)cc1
Toxic:
|
<boolean>No</boolean>
|
CNCC(O)c1ccc(O)cc1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=C([O-])Cc1cccc2ccccc12
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CCCCc1ccc2cccc(S(=O)(=O)[O-])c2c1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: O=S(=O)([O-])c1cccc2ccccc12
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Nc1ccc2cc(S(=O)(=O)O)ccc2c1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): c1ccc2ccccc2c1
Toxic:
|
<boolean>No</boolean>
|
c1ccc2ccccc2c1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: CCN(Cc1ccc(Cl)nc1)/C(=C/[N+](=O)[O-])NC
Toxic: <boolean>No</boolean>
Example 2:
Smiles: Cc1ncc(CO)c(CO)c1O
Toxic: <boolean>No</boolean>
Example 3:
Smiles: NCc1cccnc1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Clc1ccccn1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CC(=O)c1cccnc1
Toxic:
|
<boolean>No</boolean>
|
CC(=O)c1cccnc1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCCCCCCCOS(=O)(=O)[O-]
Toxic:
|
<boolean>No</boolean>
|
CCCCCCCCOS(=O)(=O)[O-]
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: COC(=O)C1(O)c2ccccc2-c2ccccc21
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(=O)Nc1ccc2c(c1)Cc1cc(NC(C)=O)ccc1-2
Toxic: <boolean>No</boolean>
Example 3:
Smiles: O=C1c2c(O)cccc2Cc2cccc(O)c21
Toxic: <boolean>No</boolean>
Example 4:
Smiles: CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): c1ccc2c(c1)Cc1ccccc1-2
Toxic:
|
<boolean>No</boolean>
|
c1ccc2c(c1)Cc1ccccc1-2
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: c1ccc(-c2ccccc2)cc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: Nc1ccc(-c2ccc(N)cc2)cc1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: Cc1ccc(-c2ccccc2)cc1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1
Toxic:
|
<boolean>No</boolean>
|
Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCOC(OCC)OCC
Toxic:
|
<boolean>No</boolean>
|
CCOC(OCC)OCC
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: CC1=CC(O)CC(C)(C)C1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC1=C(CC=O)C(C)(C)CCC1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CC(=O)/C=C/C1=C(C)CCCC1(C)C
Toxic: <boolean>No</boolean>
Example 4:
Smiles: CCC(=O)/C=C/C1C(C)=CCCC1(C)C
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CCC(=O)C1CC(C(C)C)CC=C1C
Toxic:
|
<boolean>No</boolean>
|
CCC(=O)C1CC(C(C)C)CC=C1C
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(C)CNCC(C)C
Toxic:
|
<boolean>No</boolean>
|
CC(C)CNCC(C)C
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): O=S1OCCO1
Toxic:
|
<boolean>No</boolean>
|
O=S1OCCO1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: Oc1nc(O)nc(O)n1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: COCN(COC)c1nc(N(COC)COC)nc(N(COC)COC)n1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: C=CCOc1nc(OCC=C)nc(OCC=C)n1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: CSc1nc(NC(C)C)nc(NC(C)C)n1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CCNc1nc(NC(C)CC)nc(OC)n1
Toxic:
|
<boolean>No</boolean>
|
CCNc1nc(NC(C)CC)nc(OC)n1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): NC(=O)c1ccc([N+](=O)[O-])cc1Cl
Toxic:
|
<boolean>No</boolean>
|
NC(=O)c1ccc([N+](=O)[O-])cc1Cl
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): O=P(O)(O)c1ccccc1
Toxic:
|
<boolean>No</boolean>
|
O=P(O)(O)c1ccccc1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): NCCOS(=O)(=O)O
Toxic:
|
<boolean>No</boolean>
|
NCCOS(=O)(=O)O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): N=C(N)NN
Toxic:
|
<boolean>No</boolean>
|
N=C(N)NN
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CC(C)CCOC(=O)c1ccccc1
Toxic:
|
<boolean>No</boolean>
|
CC(C)CCOC(=O)c1ccccc1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCCCCCCCCCCCCCCCCCCl
Toxic:
|
<boolean>No</boolean>
|
CCCCCCCCCCCCCCCCCCCl
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=C(NN1CCCC1)NS(=O)(=O)c1ccc(Cl)cc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: Cc1ccc(S(=O)(=O)NC(=O)NC2CCCCCCC2)cc1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: Cc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1
Toxic:
|
<boolean>No</boolean>
|
Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): NS(=O)(=O)c1ccccc1Cl
Toxic:
|
<boolean>No</boolean>
|
NS(=O)(=O)c1ccccc1Cl
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): NC(=O)CC[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)O
Toxic:
|
<boolean>No</boolean>
|
NC(=O)CC[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C.O=C(O)CCC(=O)O
Toxic:
|
<boolean>No</boolean>
|
CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C.O=C(O)CCC(=O)O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): [Zn+2]
Toxic:
|
<boolean>No</boolean>
|
[Zn+2]
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: CN1C(=O)N(C)C(O)C1O
Toxic: <boolean>No</boolean>
Example 2:
Smiles: O=C1NCCN1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): S=C1NCCN1
Toxic:
|
<boolean>No</boolean>
|
S=C1NCCN1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C=CCCCCCCCCC=O
Toxic:
|
<boolean>No</boolean>
|
C=CCCCCCCCCC=O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: CC(C)(C)c1nnc(NS(=O)(=O)c2ccccc2)s1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: COc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)cc1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
Toxic:
|
<boolean>No</boolean>
|
Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: OC1CCCc2ccccc21
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)(C)NCC(O)COc1cccc2c1C[C@H](O)[C@H](O)C2
Toxic: <boolean>No</boolean>
Example 3:
Smiles: C#CCN[C@@H]1CCc2ccccc21
Toxic: <boolean>No</boolean>
Example 4:
Smiles: C[C@H]1CNCCc2ccc(Cl)cc21
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): c1ccc2c(c1)CCCC2
Toxic:
|
<boolean>No</boolean>
|
c1ccc2c(c1)CCCC2
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Cc1ccc(C(=O)O)cc1
Toxic:
|
<boolean>No</boolean>
|
Cc1ccc(C(=O)O)cc1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: CC1=CC(=O)CC(C)(C)C1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CCCC(=NOCC)C1=C(O)CC(CC(C)SCC)CC1=O
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)=C\C(=O)O
Toxic: <boolean>No</boolean>
Example 4:
Smiles: C=C(C)[C@@H]1CC=C(C)C(=O)C1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): C=C(C)C1CC=C(C)C(=O)C1
Toxic:
|
<boolean>No</boolean>
|
C=C(C)C1CC=C(C)C(=O)C1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): O=C(O)C(Cl)Cl
Toxic:
|
<boolean>No</boolean>
|
O=C(O)C(Cl)Cl
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC1(C)C(=O)C(C)(C)C1=O
Toxic:
|
<boolean>No</boolean>
|
CC1(C)C(=O)C(C)(C)C1=O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(=O)C(=O)[O-]
Toxic:
|
<boolean>No</boolean>
|
CC(=O)C(=O)[O-]
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: OC1CCCCC1c1ccccc1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1.CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1.O=S(=O)(O)CCS(=O)(=O)O
Toxic:
|
<boolean>No</boolean>
|
CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1.CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1.O=S(=O)(O)CCS(=O)(=O)O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: Cn1cnc2c1c(=O)[nH]c(=O)n2C
Toxic: <boolean>No</boolean>
Example 2:
Smiles: Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CC(O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Cn1c(=O)c2[nH]cnc2n(C)c1=O
Toxic:
|
<boolean>No</boolean>
|
Cn1c(=O)c2[nH]cnc2n(C)c1=O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: Cc1occc(=O)c1OC(=O)C(C)C
Toxic: <boolean>No</boolean>
Example 2:
Smiles: Cc1occc(=O)c1O
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): O=c1cc(CO)occ1O
Toxic:
|
<boolean>No</boolean>
|
O=c1cc(CO)occ1O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): COCCOCCOCCOCCOCCO
Toxic:
|
<boolean>No</boolean>
|
COCCOCCOCCOCCOCCO
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C=COCCOCCOCCOC=C
Toxic:
|
<boolean>No</boolean>
|
C=COCCOCCOCCOC=C
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): O=C(O)c1cc(Cl)cc([N+](=O)[O-])c1Cl
Toxic:
|
<boolean>No</boolean>
|
O=C(O)c1cc(Cl)cc([N+](=O)[O-])c1Cl
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C=C(C)C(=O)OCC(C)C
Toxic:
|
<boolean>No</boolean>
|
C=C(C)C(=O)OCC(C)C
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): O=C([O-])C(=O)[O-].[Ca+2]
Toxic:
|
<boolean>No</boolean>
|
O=C([O-])C(=O)[O-].[Ca+2]
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): O=C(O)C(Br)(Br)Br
Toxic:
|
<boolean>No</boolean>
|
O=C(O)C(Br)(Br)Br
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): [Ca+2].[Cl-].[Cl-]
Toxic:
|
<boolean>No</boolean>
|
[Ca+2].[Cl-].[Cl-]
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=C1c2cccc(O)c2C(=O)c2c(O)cccc21
Toxic: <boolean>No</boolean>
Example 2:
Smiles: O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O
Toxic: <boolean>No</boolean>
Example 3:
Smiles: c1ccc2c(c1)c1cccc3ccc4cccc2c4c31
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccc2ccc3cccc4ccc1c2c34
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): c1ccc2c(c1)-c1cccc3cccc-2c13
Toxic:
|
<boolean>No</boolean>
|
c1ccc2c(c1)-c1cccc3cccc-2c13
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Cc1ccc(C(=O)O)cc1
Toxic:
|
<boolean>No</boolean>
|
Cc1ccc(C(=O)O)cc1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Cc1ccccc1C(N)=O
Toxic:
|
<boolean>No</boolean>
|
Cc1ccccc1C(N)=O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O
Toxic: <boolean>No</boolean>
Example 2:
Smiles: Nc1nc(N)c(-c2ccccc2)s1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: Cc1nc(-c2ccc(Cl)cc2)oc1COC(C)(C)C(=O)O
Toxic: <boolean>No</boolean>
Example 4:
Smiles: c1ccc(-c2nnn[nH]2)cc1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1
Toxic:
|
<boolean>No</boolean>
|
Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): C=Cc1ccccc1C=C
Toxic:
|
<boolean>No</boolean>
|
C=Cc1ccccc1C=C
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: Cn1cnc2c1c(=O)[nH]c(=O)n2C
Toxic: <boolean>No</boolean>
Example 2:
Smiles: Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O
Toxic: <boolean>No</boolean>
Example 3:
Smiles: Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cn1c(=O)c2[nH]cnc2n(C)c1=O
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CC(O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
Toxic:
|
<boolean>No</boolean>
|
CC(O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CN(C)CCOCCO
Toxic:
|
<boolean>No</boolean>
|
CN(C)CCOCCO
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCCCCCCCCCCCCO
Toxic:
|
<boolean>No</boolean>
|
CCCCCCCCCCCCCO
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=NN(c1ccccc1)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CNC(=O)N(c1ccccc1)c1ccccc1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: O=C([O-])c1ccccc1Nc1cc(Cl)ccc1C(=O)[O-]
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1
Toxic:
|
<boolean>No</boolean>
|
CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CC(C)OC(=O)COc1ccc(Cl)cc1Cl
Toxic:
|
<boolean>No</boolean>
|
CC(C)OC(=O)COc1ccc(Cl)cc1Cl
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(C)CCCC(C)CC=O
Toxic:
|
<boolean>No</boolean>
|
CC(C)CCCC(C)CC=O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C=CC=O
Toxic:
|
<boolean>No</boolean>
|
C=CC=O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): [Zn+2]
Toxic:
|
<boolean>No</boolean>
|
[Zn+2]
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)(C)c1nnc(NS(=O)(=O)c2ccccc2)s1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: COc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)cc1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
Toxic:
|
<boolean>No</boolean>
|
Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): O=C(O)COCC(=O)O
Toxic:
|
<boolean>No</boolean>
|
O=C(O)COCC(=O)O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: CC(=O)Nc1nnc(S(N)(=O)=O)s1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CNC(=O)N(C)c1nnc(C(C)(C)C)s1
Toxic:
|
<boolean>No</boolean>
|
CNC(=O)N(C)c1nnc(C(C)(C)C)s1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(=O)CC(C)(C)O
Toxic:
|
<boolean>No</boolean>
|
CC(=O)CC(C)(C)O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: CCN(Cc1ccc(Cl)nc1)/C(=C/[N+](=O)[O-])NC
Toxic: <boolean>No</boolean>
Example 2:
Smiles: Cc1ncc(CO)c(CO)c1O
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CC(=O)c1cccnc1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: NCc1cccnc1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): ClCc1cccnc1
Toxic:
|
<boolean>No</boolean>
|
ClCc1cccnc1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): N=c1ccn2c(n1)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12
Toxic:
|
<boolean>No</boolean>
|
N=c1ccn2c(n1)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCOCCOCCOCCO
Toxic:
|
<boolean>No</boolean>
|
CCOCCOCCOCCO
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=C1CCCN1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: O=C1CC[C@@H](C(=O)O)N1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CN1CCCC1=O
Toxic: <boolean>No</boolean>
Example 4:
Smiles: NC(=O)CN1CCCC1=O
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): C=CN1CCCC1=O
Toxic:
|
<boolean>No</boolean>
|
C=CN1CCCC1=O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: c1ccc(-c2ccccc2)cc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: Nc1ccc(-c2ccc(N)cc2)cc1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: Cc1ccc(-c2ccccc2)cc1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): O=C(O)Cc1ccc(-c2ccccc2)cc1
Toxic:
|
<boolean>No</boolean>
|
O=C(O)Cc1ccc(-c2ccccc2)cc1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C=CC(C)(CCC=C(C)C)OC(=O)CC
Toxic:
|
<boolean>No</boolean>
|
C=CC(C)(CCC=C(C)C)OC(=O)CC
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CC(C)Oc1ccccc1O
Toxic:
|
<boolean>No</boolean>
|
CC(C)Oc1ccccc1O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCCCCCCC(=O)OC
Toxic:
|
<boolean>No</boolean>
|
CCCCCCCC(=O)OC
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cn3nnc(C)n3)CS[C@H]12)c1csc(N)n1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1
Toxic:
|
<boolean>No</boolean>
|
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1
Toxic:
|
<boolean>No</boolean>
|
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCSC(=O)N(CC)CC
Toxic:
|
<boolean>No</boolean>
|
CCSC(=O)N(CC)CC
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Clc1ccc(Cl)cc1
Toxic:
|
<boolean>No</boolean>
|
Clc1ccc(Cl)cc1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: c1ccc2c(c1)Nc1ccccc1S2
Toxic: <boolean>No</boolean>
Example 2:
Smiles: c1ccc2c(c1)Oc1ccccc1S2
Toxic: <boolean>No</boolean>
Example 3:
Smiles: NC(=O)N1c2ccccc2C=Cc2ccccc21
Toxic: <boolean>Yes</boolean>
Example 4:
Smiles: CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21
Toxic:
|
<boolean>No</boolean>
|
CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12
Toxic: <boolean>No</boolean>
Example 2:
Smiles: COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: Cc1c[nH]c2ccccc12
Toxic: <boolean>No</boolean>
Example 4:
Smiles: c1ccc2[nH]ccc2c1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): O=C(O)Cc1c[nH]c2ccccc12
Toxic:
|
<boolean>No</boolean>
|
O=C(O)Cc1c[nH]c2ccccc12
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: Clc1sc(Cl)c(Cl)c1Cl
Toxic: <boolean>No</boolean>
Example 2:
Smiles: COC(=O)c1sccc1S(N)(=O)=O
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
Toxic:
|
<boolean>No</boolean>
|
CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CN(C(=O)Cc1cccc2occc12)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1
Toxic:
|
<boolean>No</boolean>
|
CN(C(=O)Cc1cccc2occc12)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: CC1=CC(O)CC(C)(C)C1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC1=C(CC=O)C(C)(C)CCC1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CC(=O)/C=C/C1=C(C)CCCC1(C)C
Toxic: <boolean>No</boolean>
Example 4:
Smiles: CCC(=O)/C=C/C1C(C)=CCCC1(C)C
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): C=C(C)C1CC=C(C)CC1
Toxic:
|
<boolean>Yes</boolean>
|
C=C(C)C1CC=C(C)CC1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[N+](=O)[O-]
Toxic:
|
<boolean>No</boolean>
|
C[N+](=O)[O-]
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C=CCOCC(O)CO
Toxic:
|
<boolean>No</boolean>
|
C=CCOCC(O)CO
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Cc1cc(O)ccc1Cl
Toxic:
|
<boolean>No</boolean>
|
Cc1cc(O)ccc1Cl
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: COc1c2occc2cc2ccc(=O)oc12
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): COc1c2occc2c(OC)c2c(=O)cc(C)oc12
Toxic:
|
<boolean>No</boolean>
|
COc1c2occc2c(OC)c2c(=O)cc(C)oc12
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C=C(C)C(=O)OCCO
Toxic:
|
<boolean>No</boolean>
|
C=C(C)C(=O)OCCO
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=C(NCCc1c[nH]c2ccccc12)c1cccnc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: O=C([O-])c1[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: O=C(NCc1cccnc1)Nc1ccc([N+](=O)[O-])cc1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Nc1ccc(NC(=O)c2ccc(N)cc2)cc1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C
Toxic:
|
<boolean>No</boolean>
|
Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: CC(=O)Nc1nnc(S(N)(=O)=O)s1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CNC(=O)N(C)c1nnc(C(C)(C)C)s1
Toxic:
|
<boolean>No</boolean>
|
CNC(=O)N(C)c1nnc(C(C)(C)C)s1
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CCOc1ccccc1O
Toxic:
|
<boolean>No</boolean>
|
CCOc1ccccc1O
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2
Toxic:
|
<boolean>No</boolean>
|
COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Cc1cc(C)c(NC(=O)CN(CC(=O)O)CC(=O)O)c(C)c1Br
Toxic:
|
<boolean>No</boolean>
|
Cc1cc(C)c(NC(=O)CN(CC(=O)O)CC(=O)O)c(C)c1Br
|
scaffold
| 4 |
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[Si](C)(C)Cl
Toxic:
|
<boolean>No</boolean>
|
C[Si](C)(C)Cl
|
scaffold
| 4 |
smiles
|
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