Dataset Viewer
id
stringlengths 2
7
| problem
stringlengths 95
460
| solution
stringclasses 2
values | problem_type
stringclasses 1
value | group
stringclasses 1
value |
|---|---|---|---|---|
4269584
|
Given a candidate compound's SMILES string, is the compound Cc1cc(CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O toxic in the ATG_IR1_CIS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3888123
|
Given a compound's SMILES string, does CC(C)(C)C(=O)NCCCC(=O)O produce a positive toxicity call in the TOX21_FXR_BLA_agonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3485176
|
In the TOX21_PPARg_BLA_Agonist_ch2 NIH/EPA Tox21 reporter-gene assay, does the molecule CC(=O)CCC(=O)O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4504166
|
Does the compound CCOCC(=O)O result in a positive toxicity outcome in the ATG_DR5_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3671722
|
In the TOX21_VDR_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule Nc1nc(Cl)cc(Cl)n1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2894373
|
Given a candidate compound's SMILES string, is the compound COc1ccc(NC(C)=O)cc1 toxic in the TOX21_HSE_BLA_agonist_ratio assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2131809
|
Given a compound's SMILES string, does COC(=O)C1=C(C)NC(COC(N)=O)=C(C(=O)OC(C)C)C1c1cccc(Cl)c1Cl produce a positive toxicity call in the TOX21_GR_BLA_Antagonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
552318
|
Given a candidate compound's SMILES string, is the compound CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C toxic in the TOX21_MMP_ratio_down assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2362805
|
In the ATG_GR_TRANS_up Attagene reporter-gene assay, does the molecule CN(C)c1ccc(N=O)cc1 show toxic activity?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1882877
|
Given a compound's SMILES string, does CC(C)=CC1CC(C)CCO1 produce a positive toxicity call in the ATG_RORE_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5298046
|
In the TOX21_p53_BLA_p5_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule CC(CC=O)CCCC(C)(C)O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1227902
|
Is CCCBr, given as a SMILES string, classified as toxic in the TOX21_VDR_BLA_antagonist_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5148433
|
Given a candidate compound's SMILES string, is the compound CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@H]21 toxic in the TOX21_p53_BLA_p5_viability assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
66790
|
Does the compound CC[C@H](C)[C@@H](C(=O)O)n1sc2ccccc2c1=O result in a positive toxicity outcome in the TOX21_PPARg_BLA_Agonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5041513
|
Given a compound's SMILES string, does CCCC[N+]1(C)CCCC1.O=S(=O)([O-])C(F)(F)F produce a positive toxicity call in the TOX21_GR_BLA_Antagonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
765891
|
In the TOX21_MMP_ratio_down NIH/EPA Tox21 reporter-gene assay, does the molecule CCCCC(CC)COC(=O)/C=C\C(=O)OCC(CC)CCCC show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4048389
|
Is O=C1O[C@H]2[C@H](O)[C@@H]1OC(O)[C@H]2O, given as a SMILES string, classified as toxic in the TOX21_PPARg_BLA_Agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3059910
|
Given a compound's SMILES string, does O=[N+]([O-])C(CO)(CO)CO produce a positive toxicity call in the BSK_CASM3C_VCAM1_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5527017
|
In the TOX21_ERa_LUC_BG1_Agonist NIH/EPA Tox21 reporter-gene assay, does the molecule CCCC[n+]1cccc(C)c1.[I-] show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4254089
|
Given a compound's SMILES string, does CCCCCCCCCCCCCC/C(O)=N\C(CO)CCCCCCCCCCCCCC produce a positive toxicity call in the TOX21_ESRE_BLA_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5304043
|
Given a compound's SMILES string, does c1cc2c3c(cccc3c1)CC2 produce a positive toxicity call in the TOX21_p53_BLA_p3_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3270178
|
In the TOX21_FXR_BLA_agonist_ch2 NIH/EPA Tox21 reporter-gene assay, does the molecule C[C@H](N)[C@H](O)c1ccc(O)c(O)c1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3310086
|
Is CCOCN(C(=O)CCl)c1c(C)cccc1CC, given as a SMILES string, classified as toxic in the TOX21_p53_BLA_p1_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5250742
|
Given a compound's SMILES string, does c1cc(N(CC2CO2)CC2CO2)ccc1Cc1ccc(N(CC2CO2)CC2CO2)cc1 produce a positive toxicity call in the ATG_ERa_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3172120
|
Is CCCCCCCCCCCC(=O)OCC, given as a SMILES string, classified as toxic in the ATG_GATA_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4728330
|
Does the compound CCCCOC(=O)COc1ccc(Cl)cc1Cl result in a positive toxicity outcome in the ATG_NRF1_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4677543
|
Does the compound ClCCOCCCl result in a positive toxicity outcome in the Tanguay_ZF_120hpf_ActivityScore zebrafish embryo morphology/behaviour assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2588783
|
Does the compound CC(CCl)OC(C)CCl result in a positive toxicity outcome in the TOX21_ERa_LUC_BG1_Antagonist NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2932335
|
Does the compound CC(=O)O result in a positive toxicity outcome in the APR_HepG2_NuclearSize_72h_dn APR high-content imaging assay (HepG2 cells)?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1665651
|
Given a compound's SMILES string, does C=CC(=O)NC(C)(C)C produce a positive toxicity call in the TOX21_ARE_BLA_Agonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3928355
|
Is CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C, given as a SMILES string, classified as toxic in the TOX21_GR_BLA_Antagonist_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2305084
|
Given a compound's SMILES string, does COC(=O)c1ccc(C)cc1 produce a positive toxicity call in the BSK_SAg_SRB_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
843820
|
Given a candidate compound's SMILES string, is the compound CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC toxic in the BSK_hDFCGF_PAI1_down assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3648958
|
Given a candidate compound's SMILES string, is the compound CN(C)CCOCCN(C)C toxic in the ATG_IR1_CIS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3998597
|
Given a candidate compound's SMILES string, is the compound CCCCCCCCCCCC(=O)OC toxic in the Tanguay_ZF_120hpf_SNOU_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5139490
|
Is Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2, given as a SMILES string, classified as toxic in the TOX21_AR_LUC_MDAKB2_Antagonist2 NIH/EPA Tox21 reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3226850
|
Given a compound's SMILES string, does Clc1ccccc1Cl produce a positive toxicity call in the ATG_PXRE_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5350654
|
Given a candidate compound's SMILES string, is the compound C=CC(=O)OCC[N+](C)(C)C.[Cl-] toxic in the TOX21_p53_BLA_p2_ch1 assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1022444
|
Given a candidate compound's SMILES string, is the compound CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21 toxic in the ATG_p53_CIS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2968001
|
Does the compound c1csc(SSc2cccs2)c1 result in a positive toxicity outcome in the TOX21_p53_BLA_p1_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
136594
|
Given a candidate compound's SMILES string, is the compound CCCO[Si](OCCC)(OCCC)OCCC toxic in the ATG_RARa_TRANS_up assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2565475
|
Given a candidate compound's SMILES string, is the compound CC1=CCC2CC1C2(C)C toxic in the ATG_HIF1a_CIS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2314799
|
Is C=CC(=O)OCCOCCOCC, given as a SMILES string, classified as toxic in the ATG_EGR_CIS_up Attagene reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4600634
|
Does the compound CC12CC1(C)C(=O)N(c1cc(Cl)cc(Cl)c1)C2=O result in a positive toxicity outcome in the APR_HepG2_MitoticArrest_24h_up APR high-content imaging assay (HepG2 cells)?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3326654
|
Is CC(C)COC(=O)c1ccccc1O, given as a SMILES string, classified as toxic in the TOX21_PPARd_BLA_Agonist_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2657168
|
Is CC(C)(C)C1CCC(CC2=C(O)C(=O)c3ccccc3C2=O)CC1, given as a SMILES string, classified as toxic in the TOX21_PPARd_BLA_antagonist_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3858043
|
Is COc1cc(O)cc(O)c1, given as a SMILES string, classified as toxic in the TOX21_ERa_BLA_Antagonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1371651
|
Does the compound CN(N=O)c1ccccc1 result in a positive toxicity outcome in the ATG_RORE_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4107292
|
Is CC=Cc1ccc2c(c1)OCO2, given as a SMILES string, classified as toxic in the TOX21_ARE_BLA_agonist_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
387147
|
Does the compound CCCNCCC result in a positive toxicity outcome in the TOX21_Aromatase_Inhibition NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
844720
|
Is C[C@@H](N)[C@@H](O)c1ccccc1.Cl, given as a SMILES string, classified as toxic in the TOX21_ARE_BLA_Agonist_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3041473
|
Is CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-], given as a SMILES string, classified as toxic in the ATG_HSE_CIS_dn Attagene reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2923260
|
Given a candidate compound's SMILES string, is the compound O=c1c(O)c(O)c1=O toxic in the TOX21_AutoFluor_HEK293_Media_blue assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3059597
|
Does the compound Cc1ccccc1N result in a positive toxicity outcome in the ATG_HSE_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5212764
|
Is Cc1cc(C(=O)O)ccc1[N+](=O)[O-], given as a SMILES string, classified as toxic in the TOX21_AutoFluor_HEPG2_Media_green NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1346645
|
Is CCCCCCCC1CCC(=O)O1, given as a SMILES string, classified as toxic in the CEETOX_H295R_ESTRADIOL_up H295R steroidogenesis assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5364158
|
Does the compound Nc1cc([N+](=O)[O-])cc(Cl)c1O result in a positive toxicity outcome in the ATG_RORb_TRANS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
5333667
|
In the TOX21_TR_LUC_GH3_Agonist NIH/EPA Tox21 reporter-gene assay, does the molecule CNC(=O)Oc1ccccc1C(=O)Nc1ccccc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2325429
|
In the TOX21_p53_BLA_p2_viability NIH/EPA Tox21 reporter-gene assay, does the molecule O=[N+]([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1423178
|
In the ATG_TAL_CIS_dn Attagene reporter-gene assay, does the molecule Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2.Cl show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1545199
|
Is Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F, given as a SMILES string, classified as toxic in the TOX21_HSE_BLA_agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3848597
|
In the BSK_LPS_IL8_up BioSeek primary-cell biomarker panel, does the molecule Cc1ccccc1[N+](=O)[O-] show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3708524
|
Is C[N+](C)(C)CC(=O)O.[Cl-], given as a SMILES string, classified as toxic in the TOX21_GR_BLA_Agonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3661246
|
Is COC(=O)c1ccc(I)cc1S(=O)(=O)[N-]C(=O)Nc1nc(C)nc(OC)n1.[Na+], given as a SMILES string, classified as toxic in the TOX21_ERa_BLA_Antagonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2894558
|
Given a compound's SMILES string, does CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13.O=C(O)[C@H](O)[C@@H](O)C(=O)O produce a positive toxicity call in the TOX21_p53_BLA_p1_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
971668
|
Given a compound's SMILES string, does CC(=O)Oc1cccc(C)c1 produce a positive toxicity call in the TOX21_Aromatase_Inhibition NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1951061
|
Does the compound C=CC(C)(CCC=C(C)C)OC=O result in a positive toxicity outcome in the TOX21_ERa_BLA_Antagonist_ch2 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
160556
|
Given a compound's SMILES string, does CCCCOC(=O)c1ccccc1N produce a positive toxicity call in the TOX21_p53_BLA_p3_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1926043
|
In the TOX21_NFkB_BLA_agonist_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule CCCCCCCCCCCC(=O)NCCCN(C)C show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2078387
|
Is COC(=O)CCC(=O)O, given as a SMILES string, classified as toxic in the TOX21_PPARd_BLA_Agonist_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1225506
|
In the ATG_VDR_TRANS_up Attagene reporter-gene assay, does the molecule Oc1ccccc1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4735794
|
In the TOX21_p53_BLA_p1_viability NIH/EPA Tox21 reporter-gene assay, does the molecule CCCCCCCCCCCCCCCC(=O)OC show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
823317
|
Given a candidate compound's SMILES string, is the compound Cc1oc(-c2ccccc2)nc1CCOc1cccc2c1ccn2CCC(=O)O toxic in the APR_HepG2_MitoMembPot_24h_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3472717
|
Given a candidate compound's SMILES string, is the compound CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C toxic in the BSK_SAg_MIG_down assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4560688
|
In the TOX21_p53_BLA_p4_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1288264
|
Does the compound Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.[Na+] result in a positive toxicity outcome in the TOX21_ERa_LUC_BG1_Agonist NIH/EPA Tox21 reporter-gene assay?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2112154
|
In the ATG_VDRE_CIS_up Attagene reporter-gene assay, does the molecule COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1 show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2830812
|
Is N#Cc1c(Cl)cccc1Cl, given as a SMILES string, classified as toxic in the TOX21_p53_BLA_p3_ch1 NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
871691
|
Does the compound CCC[N+]1(C)CCCCC1.[Br-] result in a positive toxicity outcome in the TOX21_ESRE_BLA_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3868758
|
In the ATG_ERRa_TRANS_dn Attagene reporter-gene assay, does the molecule CC(C#N)CCC#N show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2236247
|
Is Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-], given as a SMILES string, classified as toxic in the ATG_RARg_TRANS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1024665
|
Given a candidate compound's SMILES string, is the compound CC(C)S toxic in the TOX21_ERa_LUC_BG1_Agonist assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
21908
|
Does the compound Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O result in a positive toxicity outcome in the TOX21_VDR_BLA_antagonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1899625
|
Given a candidate compound's SMILES string, is the compound COCCOC(=O)CC#N toxic in the TOX21_ERa_LUC_BG1_Antagonist assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2742536
|
Does the compound CCNc1nc(Cl)nc(NC(C)(C)C)n1 result in a positive toxicity outcome in the BSK_BE3C_IP10_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4858553
|
Is OC(Cc1ccccc1Cl)(Cn1[nH]cnc1=S)C1(Cl)CC1, given as a SMILES string, classified as toxic in the ATG_Myc_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
825092
|
Does the compound COc1cccc(C=O)c1 result in a positive toxicity outcome in the ATG_HNF6_CIS_up Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3767981
|
Does the compound O=C(O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O result in a positive toxicity outcome in the TOX21_p53_BLA_p4_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3255618
|
Does the compound CCCC[n+]1ccccc1.[Cl-] result in a positive toxicity outcome in the TOX21_AR_BLA_Agonist_ratio NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3117273
|
Is Cc1ccccc1[N+](=O)[O-], given as a SMILES string, classified as toxic in the ATG_Xbp1_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
37479
|
Given a compound's SMILES string, does CCO[Si](CCCSSSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC produce a positive toxicity call in the TOX21_GR_BLA_Antagonist_viability NIH/EPA Tox21 reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3971682
|
Is N#Cc1c(Cl)cccc1Cl, given as a SMILES string, classified as toxic in the APR_Hepat_CellLoss_48hr_dn APR high-content imaging assay (primary hepatocytes)?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
1283746
|
Given a compound's SMILES string, does CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1 produce a positive toxicity call in the APR_HepG2_MitoticArrest_72h_up APR high-content imaging assay (HepG2 cells)?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
638380
|
Does the compound CCN(CC)c1ccc(C=O)c(O)c1 result in a positive toxicity outcome in the BSK_hDFCGF_VCAM1_down BioSeek primary-cell biomarker panel?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
63953
|
Is CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F, given as a SMILES string, classified as toxic in the APR_HepG2_CellLoss_24h_dn APR high-content imaging assay (HepG2 cells)?
|
Yes
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
4390882
|
Given a candidate compound's SMILES string, is the compound CC/C=C\CC/C=C/C(OCC)OCC toxic in the ATG_RARg_TRANS_dn assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2541016
|
Given a candidate compound's SMILES string, is the compound CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1 toxic in the TOX21_NFkB_BLA_agonist_ratio assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2486122
|
In the TOX21_HSE_BLA_agonist_viability NIH/EPA Tox21 reporter-gene assay, does the molecule CC[C@H](C)[C@@H](C(=O)O)n1sc2ccccc2c1=O show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
3775008
|
Is Nc1ccc(Cl)cc1N, given as a SMILES string, classified as toxic in the ATG_TAL_CIS_dn Attagene reporter-gene assay?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
2241775
|
In the OT_ER_ERaERb_1440 OregonTox receptor–co-activator assay, does the molecule CCO[Si](C)(OCC)OCC show toxic activity?
|
No
|
single_pred_Tox_ToxCast
|
single_pred_Tox
|
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