Andrei Aioanei commited on
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1 Parent(s): abc4451

Update chemistry domain with 15 ontologies

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  1. .gitattributes +1 -0
  2. README.md +1 -1
  3. afo/afo.rst +4 -4
  4. afo/term_typings.json +261 -0
  5. afo/type_non_taxonomic_relations.json +267 -0
  6. afo/type_taxonomies.json +0 -0
  7. chebi/chebi.rst +4 -4
  8. chebi/term_typings.json +1 -0
  9. chebi/type_non_taxonomic_relations.json +5 -0
  10. chebi/type_taxonomies.json +3 -0
  11. cheminf/cheminf.rst +2 -2
  12. cheminf/term_typings.json +1 -0
  13. cheminf/type_non_taxonomic_relations.json +17 -0
  14. cheminf/type_taxonomies.json +556 -0
  15. chiro/chiro.rst +2 -2
  16. chiro/term_typings.json +1 -0
  17. chiro/type_non_taxonomic_relations.json +5 -0
  18. chiro/type_taxonomies.json +0 -0
  19. chmo/chmo.rst +4 -4
  20. chmo/term_typings.json +1 -0
  21. chmo/type_non_taxonomic_relations.json +17 -0
  22. chmo/type_taxonomies.json +0 -0
  23. fix/fix.rst +2 -2
  24. fix/term_typings.json +1 -0
  25. fix/type_non_taxonomic_relations.json +5 -0
  26. fix/type_taxonomies.json +0 -0
  27. massspectrometry/massspectrometry.rst +3 -3
  28. massspectrometry/term_typings.json +1 -0
  29. massspectrometry/type_non_taxonomic_relations.json +5 -0
  30. massspectrometry/type_taxonomies.json +0 -0
  31. mop/mop.rst +3 -3
  32. mop/term_typings.json +1 -0
  33. mop/type_non_taxonomic_relations.json +5 -0
  34. mop/type_taxonomies.json +0 -0
  35. nmrcv/nmrcv.rst +1 -1
  36. nmrcv/term_typings.json +1 -0
  37. nmrcv/type_non_taxonomic_relations.json +5 -0
  38. nmrcv/type_taxonomies.json +0 -0
  39. ontokin/ontokin.rst +2 -2
  40. ontokin/term_typings.json +1 -0
  41. ontokin/type_non_taxonomic_relations.json +17 -0
  42. ontokin/type_taxonomies.json +303 -0
  43. proco/proco.rst +2 -2
  44. proco/term_typings.json +100 -0
  45. proco/type_non_taxonomic_relations.json +17 -0
  46. proco/type_taxonomies.json +0 -0
  47. psimod/psimod.rst +2 -2
  48. psimod/term_typings.json +1 -0
  49. psimod/type_non_taxonomic_relations.json +5 -0
  50. psimod/type_taxonomies.json +0 -0
.gitattributes CHANGED
@@ -58,3 +58,4 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
58
  *.mp4 filter=lfs diff=lfs merge=lfs -text
59
  *.webm filter=lfs diff=lfs merge=lfs -text
60
  chebi/chebi.owl filter=lfs diff=lfs merge=lfs -text
 
 
58
  *.mp4 filter=lfs diff=lfs merge=lfs -text
59
  *.webm filter=lfs diff=lfs merge=lfs -text
60
  chebi/chebi.owl filter=lfs diff=lfs merge=lfs -text
61
+ chebi/type_taxonomies.json filter=lfs diff=lfs merge=lfs -text
README.md CHANGED
@@ -16,7 +16,7 @@ pretty_name: Agricultural
16
  </div>
17
 
18
  ## Overview
19
- The domain of chemistry ontologies encompasses the structured representation and formalization of chemical knowledge, including entities, reactions, processes, and methodologies. It plays a critical role in facilitating interoperability, data integration, and advanced computational modeling across diverse chemical disciplines. By providing a standardized framework, these ontologies enhance the precision and efficiency of information exchange and support the advancement of research and innovation in the chemical sciences.
20
 
21
  ## Ontologies
22
  | Ontology ID | Full Name | Classes | Properties | Last Updated |
 
16
  </div>
17
 
18
  ## Overview
19
+ The chemistry domain encompasses the structured representation and formalization of chemical knowledge, including entities, reactions, processes, and methodologies. It plays a critical role in knowledge representation by enabling the integration, sharing, and computational analysis of chemical data across diverse subfields such as organic, inorganic, physical, and computational chemistry. This domain facilitates the advancement of scientific research and innovation by providing a standardized framework for the precise and interoperable exchange of chemical information.
20
 
21
  ## Ontologies
22
  | Ontology ID | Full Name | Classes | Properties | Last Updated |
afo/afo.rst CHANGED
@@ -48,10 +48,10 @@ Breadth metrics
48
  Dataset Statistics
49
  ------------------
50
  Generated Benchmarks:
51
- - **Term Types**: 38
52
- - **Taxonomic Relations**: 9889
53
  - **Non-taxonomic Relations**: 34
54
- - **Average Terms per Type**: 3.45
55
 
56
  Usage Example
57
  -------------
@@ -61,7 +61,7 @@ Usage Example
61
 
62
  # Initialize and load ontology
63
  ontology = AFO()
64
- ontology.load("path/to/ontology.owl")
65
 
66
  # Extract datasets
67
  data = ontology.extract()
 
48
  Dataset Statistics
49
  ------------------
50
  Generated Benchmarks:
51
+ - **Term Types**: 37
52
+ - **Taxonomic Relations**: 6904
53
  - **Non-taxonomic Relations**: 34
54
+ - **Average Terms per Type**: 3.36
55
 
56
  Usage Example
57
  -------------
 
61
 
62
  # Initialize and load ontology
63
  ontology = AFO()
64
+ ontology.load("path/to/ontology.TTL")
65
 
66
  # Extract datasets
67
  data = ontology.extract()
afo/term_typings.json ADDED
@@ -0,0 +1,261 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ [
2
+ {
3
+ "ID": "TT_b44967a5",
4
+ "term": "copyright",
5
+ "types": [
6
+ "RightsStatement"
7
+ ]
8
+ },
9
+ {
10
+ "ID": "TT_2c135aad",
11
+ "term": "attribution",
12
+ "types": [
13
+ "RightsStatement"
14
+ ]
15
+ },
16
+ {
17
+ "ID": "TT_2e7abc5d",
18
+ "term": "iupac-copyright",
19
+ "types": [
20
+ "RightsStatement"
21
+ ]
22
+ },
23
+ {
24
+ "ID": "TT_d786159b",
25
+ "term": "valid",
26
+ "types": [
27
+ "data validity code"
28
+ ]
29
+ },
30
+ {
31
+ "ID": "TT_bc9a9558",
32
+ "term": "invalid",
33
+ "types": [
34
+ "data validity code"
35
+ ]
36
+ },
37
+ {
38
+ "ID": "TT_2189dfc1",
39
+ "term": "negative polarity",
40
+ "types": [
41
+ "polarity code"
42
+ ]
43
+ },
44
+ {
45
+ "ID": "TT_d8fb230b",
46
+ "term": "positive polarity",
47
+ "types": [
48
+ "polarity code"
49
+ ]
50
+ },
51
+ {
52
+ "ID": "TT_2d119903",
53
+ "term": "non-hygroscopic",
54
+ "types": [
55
+ "hygroscopicity code"
56
+ ]
57
+ },
58
+ {
59
+ "ID": "TT_de747818",
60
+ "term": "slightly hygroscopic",
61
+ "types": [
62
+ "hygroscopicity code"
63
+ ]
64
+ },
65
+ {
66
+ "ID": "TT_081f939a",
67
+ "term": "very hygroscopic",
68
+ "types": [
69
+ "hygroscopicity code"
70
+ ]
71
+ },
72
+ {
73
+ "ID": "TT_287b1e23",
74
+ "term": "deliquescent",
75
+ "types": [
76
+ "hygroscopicity code"
77
+ ]
78
+ },
79
+ {
80
+ "ID": "TT_cae03c0e",
81
+ "term": "hygroscopic",
82
+ "types": [
83
+ "hygroscopicity code"
84
+ ]
85
+ },
86
+ {
87
+ "ID": "TT_f6856c9b",
88
+ "term": "creative-commons-attribution-license",
89
+ "types": [
90
+ "LicenseDocument"
91
+ ]
92
+ },
93
+ {
94
+ "ID": "TT_8f69c203",
95
+ "term": "iupac-license",
96
+ "types": [
97
+ "LicenseDocument"
98
+ ]
99
+ },
100
+ {
101
+ "ID": "TT_bca90b1b",
102
+ "term": "fail (calibration)",
103
+ "types": [
104
+ "calibration assessment code"
105
+ ]
106
+ },
107
+ {
108
+ "ID": "TT_58d1099e",
109
+ "term": "indeterminate (calibration)",
110
+ "types": [
111
+ "calibration assessment code"
112
+ ]
113
+ },
114
+ {
115
+ "ID": "TT_f4de00bc",
116
+ "term": "pass (calibration)",
117
+ "types": [
118
+ "calibration assessment code"
119
+ ]
120
+ },
121
+ {
122
+ "ID": "TT_27ac5d2a",
123
+ "term": "machine direction",
124
+ "types": [
125
+ "sampling orientation code"
126
+ ]
127
+ },
128
+ {
129
+ "ID": "TT_0dc6682c",
130
+ "term": "cross direction",
131
+ "types": [
132
+ "sampling orientation code"
133
+ ]
134
+ },
135
+ {
136
+ "ID": "TT_3fec60be",
137
+ "term": "below",
138
+ "types": [
139
+ "position code"
140
+ ]
141
+ },
142
+ {
143
+ "ID": "TT_801dd455",
144
+ "term": "above",
145
+ "types": [
146
+ "position code"
147
+ ]
148
+ },
149
+ {
150
+ "ID": "TT_56ae0f77",
151
+ "term": "bottom",
152
+ "types": [
153
+ "position code"
154
+ ]
155
+ },
156
+ {
157
+ "ID": "TT_2585483c",
158
+ "term": "microscopic scale",
159
+ "types": [
160
+ "term granularity"
161
+ ]
162
+ },
163
+ {
164
+ "ID": "TT_37ca2fc0",
165
+ "term": "atomic scale",
166
+ "types": [
167
+ "term granularity"
168
+ ]
169
+ },
170
+ {
171
+ "ID": "TT_1b055484",
172
+ "term": "macroscopic scale",
173
+ "types": [
174
+ "term granularity"
175
+ ]
176
+ },
177
+ {
178
+ "ID": "TT_0b43ad69",
179
+ "term": "mesoscopic scale",
180
+ "types": [
181
+ "term granularity"
182
+ ]
183
+ },
184
+ {
185
+ "ID": "TT_6d79128e",
186
+ "term": "subatomic scale",
187
+ "types": [
188
+ "term granularity"
189
+ ]
190
+ },
191
+ {
192
+ "ID": "TT_48c0af49",
193
+ "term": "www.allotrope.org",
194
+ "types": [
195
+ "Organization"
196
+ ]
197
+ },
198
+ {
199
+ "ID": "TT_f1de9255",
200
+ "term": "www.rsc.org",
201
+ "types": [
202
+ "Organization"
203
+ ]
204
+ },
205
+ {
206
+ "ID": "TT_f89aaa4d",
207
+ "term": "cohesive peel",
208
+ "types": [
209
+ "break code"
210
+ ]
211
+ },
212
+ {
213
+ "ID": "TT_958cb427",
214
+ "term": "material elongation",
215
+ "types": [
216
+ "break code"
217
+ ]
218
+ },
219
+ {
220
+ "ID": "TT_c80b88eb",
221
+ "term": "material break",
222
+ "types": [
223
+ "break code"
224
+ ]
225
+ },
226
+ {
227
+ "ID": "TT_1ab5c4af",
228
+ "term": "delamination",
229
+ "types": [
230
+ "break code"
231
+ ]
232
+ },
233
+ {
234
+ "ID": "TT_c4c2ea8e",
235
+ "term": "adhesive peel",
236
+ "types": [
237
+ "break code"
238
+ ]
239
+ },
240
+ {
241
+ "ID": "TT_01d99f39",
242
+ "term": "material break (remote)",
243
+ "types": [
244
+ "break code"
245
+ ]
246
+ },
247
+ {
248
+ "ID": "TT_285f2a3e",
249
+ "term": "no seal",
250
+ "types": [
251
+ "break code"
252
+ ]
253
+ },
254
+ {
255
+ "ID": "TT_86247679",
256
+ "term": "peel with elongation",
257
+ "types": [
258
+ "break code"
259
+ ]
260
+ }
261
+ ]
afo/type_non_taxonomic_relations.json ADDED
@@ -0,0 +1,267 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "types": [
3
+ "Collection",
4
+ "Concept",
5
+ "Concept Scheme",
6
+ "Organization",
7
+ "anode",
8
+ "cathode",
9
+ "chemical substance",
10
+ "contextual role",
11
+ "continuant",
12
+ "continuant fiat boundary",
13
+ "disposition",
14
+ "electrical and magnetic quality",
15
+ "electromagnetic radiation quality",
16
+ "formal organization",
17
+ "generically dependent continuant",
18
+ "height (quality)",
19
+ "history",
20
+ "immaterial entity",
21
+ "independent continuant",
22
+ "instant",
23
+ "material entity",
24
+ "negative charge",
25
+ "neutral charge",
26
+ "occurrent",
27
+ "one-dimensional continuant fiat boundary",
28
+ "one-dimensional spatial region",
29
+ "one-dimensional temporal region",
30
+ "organization",
31
+ "organizational unit",
32
+ "portion of bulk stuff",
33
+ "portion of compound",
34
+ "portion of element",
35
+ "portion of water",
36
+ "positive charge",
37
+ "process",
38
+ "process boundary",
39
+ "process profile",
40
+ "quality",
41
+ "realizable entity",
42
+ "role",
43
+ "site",
44
+ "spatial region",
45
+ "spatiotemporal region",
46
+ "specifically dependent continuant",
47
+ "temporal region",
48
+ "three-dimensional spatial region",
49
+ "two-dimensional continuant fiat boundary",
50
+ "two-dimensional spatial region",
51
+ "water (molecule)",
52
+ "zero-dimensional continuant fiat boundary",
53
+ "zero-dimensional spatial region",
54
+ "zero-dimensional temporal region"
55
+ ],
56
+ "relations": [
57
+ "disjointWith",
58
+ "equivalentClass",
59
+ "has close match"
60
+ ],
61
+ "non_taxonomies": [
62
+ {
63
+ "ID": "NR_a83fb754",
64
+ "head": "material entity",
65
+ "tail": "immaterial entity",
66
+ "relation": "disjointWith"
67
+ },
68
+ {
69
+ "ID": "NR_958d1ba1",
70
+ "head": "spatial region",
71
+ "tail": "site",
72
+ "relation": "disjointWith"
73
+ },
74
+ {
75
+ "ID": "NR_915f5c37",
76
+ "head": "temporal region",
77
+ "tail": "spatiotemporal region",
78
+ "relation": "disjointWith"
79
+ },
80
+ {
81
+ "ID": "NR_6cb1537b",
82
+ "head": "temporal region",
83
+ "tail": "process",
84
+ "relation": "disjointWith"
85
+ },
86
+ {
87
+ "ID": "NR_5bc5e10c",
88
+ "head": "continuant",
89
+ "tail": "occurrent",
90
+ "relation": "disjointWith"
91
+ },
92
+ {
93
+ "ID": "NR_ce5fc4f9",
94
+ "head": "spatial region",
95
+ "tail": "continuant fiat boundary",
96
+ "relation": "disjointWith"
97
+ },
98
+ {
99
+ "ID": "NR_bcfabe12",
100
+ "head": "temporal region",
101
+ "tail": "process boundary",
102
+ "relation": "disjointWith"
103
+ },
104
+ {
105
+ "ID": "NR_75a05eac",
106
+ "head": "organization",
107
+ "tail": "Organization",
108
+ "relation": "has close match"
109
+ },
110
+ {
111
+ "ID": "NR_5524b536",
112
+ "head": "formal organization",
113
+ "tail": "organizational unit",
114
+ "relation": "disjointWith"
115
+ },
116
+ {
117
+ "ID": "NR_02bd4574",
118
+ "head": "zero-dimensional temporal region",
119
+ "tail": "instant",
120
+ "relation": "equivalentClass"
121
+ },
122
+ {
123
+ "ID": "NR_9aa23633",
124
+ "head": "neutral charge",
125
+ "tail": "negative charge",
126
+ "relation": "disjointWith"
127
+ },
128
+ {
129
+ "ID": "NR_9180b744",
130
+ "head": "zero-dimensional spatial region",
131
+ "tail": "three-dimensional spatial region",
132
+ "relation": "disjointWith"
133
+ },
134
+ {
135
+ "ID": "NR_2c83f731",
136
+ "head": "contextual role",
137
+ "tail": "role",
138
+ "relation": "disjointWith"
139
+ },
140
+ {
141
+ "ID": "NR_05b3c287",
142
+ "head": "one-dimensional spatial region",
143
+ "tail": "three-dimensional spatial region",
144
+ "relation": "disjointWith"
145
+ },
146
+ {
147
+ "ID": "NR_ffb481b3",
148
+ "head": "electrical and magnetic quality",
149
+ "tail": "electromagnetic radiation quality",
150
+ "relation": "has close match"
151
+ },
152
+ {
153
+ "ID": "NR_ab6c6ee7",
154
+ "head": "positive charge",
155
+ "tail": "negative charge",
156
+ "relation": "disjointWith"
157
+ },
158
+ {
159
+ "ID": "NR_6ecd7b8b",
160
+ "head": "portion of compound",
161
+ "tail": "portion of element",
162
+ "relation": "disjointWith"
163
+ },
164
+ {
165
+ "ID": "NR_ddbb0a6e",
166
+ "head": "Collection",
167
+ "tail": "Concept",
168
+ "relation": "disjointWith"
169
+ },
170
+ {
171
+ "ID": "NR_3f995bfe",
172
+ "head": "neutral charge",
173
+ "tail": "positive charge",
174
+ "relation": "disjointWith"
175
+ },
176
+ {
177
+ "ID": "NR_4161b348",
178
+ "head": "independent continuant",
179
+ "tail": "specifically dependent continuant",
180
+ "relation": "disjointWith"
181
+ },
182
+ {
183
+ "ID": "NR_16137cda",
184
+ "head": "one-dimensional continuant fiat boundary",
185
+ "tail": "zero-dimensional continuant fiat boundary",
186
+ "relation": "disjointWith"
187
+ },
188
+ {
189
+ "ID": "NR_ccea6eee",
190
+ "head": "process profile",
191
+ "tail": "history",
192
+ "relation": "disjointWith"
193
+ },
194
+ {
195
+ "ID": "NR_6445d71f",
196
+ "head": "Concept",
197
+ "tail": "Concept Scheme",
198
+ "relation": "disjointWith"
199
+ },
200
+ {
201
+ "ID": "NR_4763d205",
202
+ "head": "portion of water",
203
+ "tail": "water (molecule)",
204
+ "relation": "has close match"
205
+ },
206
+ {
207
+ "ID": "NR_c812b19f",
208
+ "head": "portion of bulk stuff",
209
+ "tail": "chemical substance",
210
+ "relation": "disjointWith"
211
+ },
212
+ {
213
+ "ID": "NR_6bb23b69",
214
+ "head": "disposition",
215
+ "tail": "role",
216
+ "relation": "disjointWith"
217
+ },
218
+ {
219
+ "ID": "NR_af278bd4",
220
+ "head": "two-dimensional spatial region",
221
+ "tail": "three-dimensional spatial region",
222
+ "relation": "disjointWith"
223
+ },
224
+ {
225
+ "ID": "NR_4ca3f6cf",
226
+ "head": "one-dimensional continuant fiat boundary",
227
+ "tail": "two-dimensional continuant fiat boundary",
228
+ "relation": "disjointWith"
229
+ },
230
+ {
231
+ "ID": "NR_b9f1475d",
232
+ "head": "height (quality)",
233
+ "tail": "height (quality)",
234
+ "relation": "has close match"
235
+ },
236
+ {
237
+ "ID": "NR_ad54970a",
238
+ "head": "anode",
239
+ "tail": "cathode",
240
+ "relation": "disjointWith"
241
+ },
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+ {
243
+ "ID": "NR_a3eb819f",
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+ "head": "Collection",
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+ "tail": "Concept Scheme",
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+ "relation": "disjointWith"
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+ },
248
+ {
249
+ "ID": "NR_3e57340a",
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+ "head": "independent continuant",
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+ "tail": "generically dependent continuant",
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+ "relation": "disjointWith"
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+ },
254
+ {
255
+ "ID": "NR_a6c6bb8c",
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+ "head": "realizable entity",
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+ "tail": "quality",
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+ "relation": "disjointWith"
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+ },
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+ {
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+ "ID": "NR_9c48bbea",
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+ "head": "one-dimensional temporal region",
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+ "tail": "zero-dimensional temporal region",
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afo/type_taxonomies.json ADDED
The diff for this file is too large to render. See raw diff
 
chebi/chebi.rst CHANGED
@@ -17,7 +17,7 @@ or classes of entities and their parents and/or children are specified.
17
  :Last Updated: 01/01/2025
18
  :Creator: None
19
  :License: Creative Commons 4.0
20
- :Format: OWL, OBO, JSON
21
  :Download: `Chemical Entities of Biological Interest (ChEBI) Homepage <https://www.ebi.ac.uk/chebi/>`_
22
 
23
  Graph Metrics
@@ -51,8 +51,8 @@ Dataset Statistics
51
  ------------------
52
  Generated Benchmarks:
53
  - **Term Types**: 0
54
- - **Taxonomic Relations**: 1200620
55
- - **Non-taxonomic Relations**: 18607
56
  - **Average Terms per Type**: 0.00
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58
  Usage Example
@@ -63,7 +63,7 @@ Usage Example
63
 
64
  # Initialize and load ontology
65
  ontology = ChEBI()
66
- ontology.load("path/to/ontology.owl")
67
 
68
  # Extract datasets
69
  data = ontology.extract()
 
17
  :Last Updated: 01/01/2025
18
  :Creator: None
19
  :License: Creative Commons 4.0
20
+ :Format: OWL
21
  :Download: `Chemical Entities of Biological Interest (ChEBI) Homepage <https://www.ebi.ac.uk/chebi/>`_
22
 
23
  Graph Metrics
 
51
  ------------------
52
  Generated Benchmarks:
53
  - **Term Types**: 0
54
+ - **Taxonomic Relations**: 739967
55
+ - **Non-taxonomic Relations**: 0
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  - **Average Terms per Type**: 0.00
57
 
58
  Usage Example
 
63
 
64
  # Initialize and load ontology
65
  ontology = ChEBI()
66
+ ontology.load("path/to/ontology.OWL")
67
 
68
  # Extract datasets
69
  data = ontology.extract()
chebi/term_typings.json ADDED
@@ -0,0 +1 @@
 
 
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+ {
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cheminf/cheminf.rst CHANGED
@@ -48,7 +48,7 @@ Dataset Statistics
48
  ------------------
49
  Generated Benchmarks:
50
  - **Term Types**: 0
51
- - **Taxonomic Relations**: 594
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  - **Non-taxonomic Relations**: 1
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  - **Average Terms per Type**: 0.00
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@@ -60,7 +60,7 @@ Usage Example
60
 
61
  # Initialize and load ontology
62
  ontology = CHEMINF()
63
- ontology.load("path/to/ontology.owl")
64
 
65
  # Extract datasets
66
  data = ontology.extract()
 
48
  ------------------
49
  Generated Benchmarks:
50
  - **Term Types**: 0
51
+ - **Taxonomic Relations**: 95
52
  - **Non-taxonomic Relations**: 1
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  - **Average Terms per Type**: 0.00
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60
 
61
  # Initialize and load ontology
62
  ontology = CHEMINF()
63
+ ontology.load("path/to/ontology.OWL")
64
 
65
  # Extract datasets
66
  data = ontology.extract()
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+ ]
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+ {
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+ "XLogP3 software library",
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+ "OEChem software library version 1.9.0",
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+ "Pipeline Pilot Server Version 8.5.0",
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+ "logD calculated at pH 5.5 by ACD/Labs PhysChem software library version 12.01",
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+ "software library",
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+ "molecular species at pH 7.4 descriptor",
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+ "rule of three passes descriptor",
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+ "National Service Center number",
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+ "medchem friendly descriptor calculated by pipeline pilot",
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+ "validated chemical database identifier"
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+ {
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+ "ID": "TR_20665e6c",
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+ "parent": "OBI_0000011",
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196
+ "ID": "TR_c9747059",
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+ "ID": "TR_c0d55677",
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+ "parent": "rule of five violations descriptor",
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214
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219
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+ "parent": "rule of three passes descriptor",
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+ "child": "rule of three passes calculated by pipeline pilot"
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+ "ID": "TR_c0eb921f",
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+ "child": "medchem friendly descriptor calculated by pipeline pilot"
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+ "child": "logD calculated at pH 7.4 by ACD/Labs PhysChem software"
249
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250
+ {
251
+ "ID": "TR_404c7d83",
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259
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261
+ "ID": "TR_c68a3ae3",
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+ "parent": "molecular species at pH 7.4 descriptor",
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+ "ID": "TR_9c7b35c1",
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+ "ID": "TR_f21b2d20",
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289
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+ "ID": "TR_b8ac6e5d",
437
+ "parent": "CRID registry curation",
438
+ "child": "CRID devalidation"
439
+ },
440
+ {
441
+ "ID": "TR_ee7880a6",
442
+ "parent": "CRID registry curation",
443
+ "child": "CRID validation"
444
+ },
445
+ {
446
+ "ID": "TR_98472235",
447
+ "parent": "CRID registry curation",
448
+ "child": "chemical name devalidation"
449
+ },
450
+ {
451
+ "ID": "TR_b8a1c53c",
452
+ "parent": "OBI_0000011",
453
+ "child": "CRID registry curation"
454
+ },
455
+ {
456
+ "ID": "TR_1bb7301f",
457
+ "parent": "CRID registry curation",
458
+ "child": "chemical name validation"
459
+ },
460
+ {
461
+ "ID": "TR_f3d87f4f",
462
+ "parent": "CRID registry curation",
463
+ "child": "chemical name deprecation"
464
+ },
465
+ {
466
+ "ID": "TR_61e6a7c0",
467
+ "parent": "CRID registry curation",
468
+ "child": "CRID deprecation"
469
+ },
470
+ {
471
+ "ID": "TR_2da79e8a",
472
+ "parent": "CRID registry curation",
473
+ "child": "CRID devalidation"
474
+ },
475
+ {
476
+ "ID": "TR_a038b147",
477
+ "parent": "ChemSpider validated synonym",
478
+ "child": "ChemSpider title"
479
+ },
480
+ {
481
+ "ID": "TR_6dfaba69",
482
+ "parent": "parameter data item",
483
+ "child": "numeric parameter"
484
+ },
485
+ {
486
+ "ID": "TR_234512d8",
487
+ "parent": "numeric data item",
488
+ "child": "numeric parameter"
489
+ },
490
+ {
491
+ "ID": "TR_f5c7b1d6",
492
+ "parent": "parameter data item",
493
+ "child": "textual parameter"
494
+ },
495
+ {
496
+ "ID": "TR_ddad2a08",
497
+ "parent": "textual data item",
498
+ "child": "textual parameter"
499
+ },
500
+ {
501
+ "ID": "TR_c53cc112",
502
+ "parent": "parameter data item",
503
+ "child": "numeric parameter"
504
+ },
505
+ {
506
+ "ID": "TR_d67acda2",
507
+ "parent": "numeric data item",
508
+ "child": "numeric parameter"
509
+ },
510
+ {
511
+ "ID": "TR_5ea2b2ad",
512
+ "parent": "parameter data item",
513
+ "child": "textual parameter"
514
+ },
515
+ {
516
+ "ID": "TR_667190ec",
517
+ "parent": "textual data item",
518
+ "child": "textual parameter"
519
+ },
520
+ {
521
+ "ID": "TR_01e5ef11",
522
+ "parent": "information data item",
523
+ "child": "connection table interpretation information data item"
524
+ },
525
+ {
526
+ "ID": "TR_c02ab9db",
527
+ "parent": "information data item",
528
+ "child": "structural standardization information data item"
529
+ },
530
+ {
531
+ "ID": "TR_3ff0b444",
532
+ "parent": "information data item",
533
+ "child": "structural validation information data item"
534
+ },
535
+ {
536
+ "ID": "TR_f00db8f0",
537
+ "parent": "information data item",
538
+ "child": "connection table interpretation information data item"
539
+ },
540
+ {
541
+ "ID": "TR_fb35736f",
542
+ "parent": "information data item",
543
+ "child": "structural standardization information data item"
544
+ },
545
+ {
546
+ "ID": "TR_f04430df",
547
+ "parent": "information data item",
548
+ "child": "structural validation information data item"
549
+ },
550
+ {
551
+ "ID": "TR_a2f8be80",
552
+ "parent": "gravitational index",
553
+ "child": "gravitational index (square and cube roots)"
554
+ }
555
+ ]
556
+ }
chiro/chiro.rst CHANGED
@@ -48,7 +48,7 @@ Dataset Statistics
48
  ------------------
49
  Generated Benchmarks:
50
  - **Term Types**: 0
51
- - **Taxonomic Relations**: 27299
52
  - **Non-taxonomic Relations**: 0
53
  - **Average Terms per Type**: 0.00
54
 
@@ -60,7 +60,7 @@ Usage Example
60
 
61
  # Initialize and load ontology
62
  ontology = CHIRO()
63
- ontology.load("path/to/ontology.owl")
64
 
65
  # Extract datasets
66
  data = ontology.extract()
 
48
  ------------------
49
  Generated Benchmarks:
50
  - **Term Types**: 0
51
+ - **Taxonomic Relations**: 25262
52
  - **Non-taxonomic Relations**: 0
53
  - **Average Terms per Type**: 0.00
54
 
 
60
 
61
  # Initialize and load ontology
62
  ontology = CHIRO()
63
+ ontology.load("path/to/ontology.OWL")
64
 
65
  # Extract datasets
66
  data = ontology.extract()
chiro/term_typings.json ADDED
@@ -0,0 +1 @@
 
 
1
+ []
chiro/type_non_taxonomic_relations.json ADDED
@@ -0,0 +1,5 @@
 
 
 
 
 
 
1
+ {
2
+ "types": [],
3
+ "relations": [],
4
+ "non_taxonomies": []
5
+ }
chiro/type_taxonomies.json ADDED
The diff for this file is too large to render. See raw diff
 
chmo/chmo.rst CHANGED
@@ -15,7 +15,7 @@ The Chemical Methods Ontology contains more than 3000 classes and describes meth
15
  :Last Updated: 2022-04-19
16
  :Creator: None
17
  :License: Creative Commons 4.0
18
- :Format: OWL, TTL, CSV, NT
19
  :Download: `Chemical Methods Ontology (ChMO) Homepage <https://github.com/rsc-ontologies/rsc-cmo>`_
20
 
21
  Graph Metrics
@@ -49,8 +49,8 @@ Dataset Statistics
49
  ------------------
50
  Generated Benchmarks:
51
  - **Term Types**: 0
52
- - **Taxonomic Relations**: 4268
53
- - **Non-taxonomic Relations**: 114
54
  - **Average Terms per Type**: 0.00
55
 
56
  Usage Example
@@ -61,7 +61,7 @@ Usage Example
61
 
62
  # Initialize and load ontology
63
  ontology = ChMO()
64
- ontology.load("path/to/ontology.owl")
65
 
66
  # Extract datasets
67
  data = ontology.extract()
 
15
  :Last Updated: 2022-04-19
16
  :Creator: None
17
  :License: Creative Commons 4.0
18
+ :Format: OWL
19
  :Download: `Chemical Methods Ontology (ChMO) Homepage <https://github.com/rsc-ontologies/rsc-cmo>`_
20
 
21
  Graph Metrics
 
49
  ------------------
50
  Generated Benchmarks:
51
  - **Term Types**: 0
52
+ - **Taxonomic Relations**: 3601
53
+ - **Non-taxonomic Relations**: 1
54
  - **Average Terms per Type**: 0.00
55
 
56
  Usage Example
 
61
 
62
  # Initialize and load ontology
63
  ontology = ChMO()
64
+ ontology.load("path/to/ontology.OWL")
65
 
66
  # Extract datasets
67
  data = ontology.extract()
chmo/term_typings.json ADDED
@@ -0,0 +1 @@
 
 
1
+ []
chmo/type_non_taxonomic_relations.json ADDED
@@ -0,0 +1,17 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "types": [
3
+ "analyte role",
4
+ "matrix role"
5
+ ],
6
+ "relations": [
7
+ "disjointWith"
8
+ ],
9
+ "non_taxonomies": [
10
+ {
11
+ "ID": "NR_722d17e4",
12
+ "head": "analyte role",
13
+ "tail": "matrix role",
14
+ "relation": "disjointWith"
15
+ }
16
+ ]
17
+ }
chmo/type_taxonomies.json ADDED
The diff for this file is too large to render. See raw diff
 
fix/fix.rst CHANGED
@@ -45,7 +45,7 @@ Dataset Statistics
45
  ------------------
46
  Generated Benchmarks:
47
  - **Term Types**: 0
48
- - **Taxonomic Relations**: 2978
49
  - **Non-taxonomic Relations**: 0
50
  - **Average Terms per Type**: 0.00
51
 
@@ -57,7 +57,7 @@ Usage Example
57
 
58
  # Initialize and load ontology
59
  ontology = FIX()
60
- ontology.load("path/to/ontology.owl")
61
 
62
  # Extract datasets
63
  data = ontology.extract()
 
45
  ------------------
46
  Generated Benchmarks:
47
  - **Term Types**: 0
48
+ - **Taxonomic Relations**: 2751
49
  - **Non-taxonomic Relations**: 0
50
  - **Average Terms per Type**: 0.00
51
 
 
57
 
58
  # Initialize and load ontology
59
  ontology = FIX()
60
+ ontology.load("path/to/ontology.OWL")
61
 
62
  # Extract datasets
63
  data = ontology.extract()
fix/term_typings.json ADDED
@@ -0,0 +1 @@
 
 
1
+ []
fix/type_non_taxonomic_relations.json ADDED
@@ -0,0 +1,5 @@
 
 
 
 
 
 
1
+ {
2
+ "types": [],
3
+ "relations": [],
4
+ "non_taxonomies": []
5
+ }
fix/type_taxonomies.json ADDED
The diff for this file is too large to render. See raw diff
 
massspectrometry/massspectrometry.rst CHANGED
@@ -45,8 +45,8 @@ Dataset Statistics
45
  ------------------
46
  Generated Benchmarks:
47
  - **Term Types**: 0
48
- - **Taxonomic Relations**: 16046
49
- - **Non-taxonomic Relations**: 2
50
  - **Average Terms per Type**: 0.00
51
 
52
  Usage Example
@@ -57,7 +57,7 @@ Usage Example
57
 
58
  # Initialize and load ontology
59
  ontology = MassSpectrometry()
60
- ontology.load("path/to/ontology.owl")
61
 
62
  # Extract datasets
63
  data = ontology.extract()
 
45
  ------------------
46
  Generated Benchmarks:
47
  - **Term Types**: 0
48
+ - **Taxonomic Relations**: 7016
49
+ - **Non-taxonomic Relations**: 0
50
  - **Average Terms per Type**: 0.00
51
 
52
  Usage Example
 
57
 
58
  # Initialize and load ontology
59
  ontology = MassSpectrometry()
60
+ ontology.load("path/to/ontology.OWL")
61
 
62
  # Extract datasets
63
  data = ontology.extract()
massspectrometry/term_typings.json ADDED
@@ -0,0 +1 @@
 
 
1
+ []
massspectrometry/type_non_taxonomic_relations.json ADDED
@@ -0,0 +1,5 @@
 
 
 
 
 
 
1
+ {
2
+ "types": [],
3
+ "relations": [],
4
+ "non_taxonomies": []
5
+ }
massspectrometry/type_taxonomies.json ADDED
The diff for this file is too large to render. See raw diff
 
mop/mop.rst CHANGED
@@ -46,8 +46,8 @@ Dataset Statistics
46
  ------------------
47
  Generated Benchmarks:
48
  - **Term Types**: 0
49
- - **Taxonomic Relations**: 4171
50
- - **Non-taxonomic Relations**: 47
51
  - **Average Terms per Type**: 0.00
52
 
53
  Usage Example
@@ -58,7 +58,7 @@ Usage Example
58
 
59
  # Initialize and load ontology
60
  ontology = MOP()
61
- ontology.load("path/to/ontology.owl")
62
 
63
  # Extract datasets
64
  data = ontology.extract()
 
46
  ------------------
47
  Generated Benchmarks:
48
  - **Term Types**: 0
49
+ - **Taxonomic Relations**: 3840
50
+ - **Non-taxonomic Relations**: 0
51
  - **Average Terms per Type**: 0.00
52
 
53
  Usage Example
 
58
 
59
  # Initialize and load ontology
60
  ontology = MOP()
61
+ ontology.load("path/to/ontology.OWL")
62
 
63
  # Extract datasets
64
  data = ontology.extract()
mop/term_typings.json ADDED
@@ -0,0 +1 @@
 
 
1
+ []
mop/type_non_taxonomic_relations.json ADDED
@@ -0,0 +1,5 @@
 
 
 
 
 
 
1
+ {
2
+ "types": [],
3
+ "relations": [],
4
+ "non_taxonomies": []
5
+ }
mop/type_taxonomies.json ADDED
The diff for this file is too large to render. See raw diff
 
nmrcv/nmrcv.rst CHANGED
@@ -71,7 +71,7 @@ Usage Example
71
 
72
  # Initialize and load ontology
73
  ontology = NMRCV()
74
- ontology.load("path/to/ontology.owl")
75
 
76
  # Extract datasets
77
  data = ontology.extract()
 
71
 
72
  # Initialize and load ontology
73
  ontology = NMRCV()
74
+ ontology.load("path/to/ontology.OWL")
75
 
76
  # Extract datasets
77
  data = ontology.extract()
nmrcv/term_typings.json ADDED
@@ -0,0 +1 @@
 
 
1
+ []
nmrcv/type_non_taxonomic_relations.json ADDED
@@ -0,0 +1,5 @@
 
 
 
 
 
 
1
+ {
2
+ "types": [],
3
+ "relations": [],
4
+ "non_taxonomies": []
5
+ }
nmrcv/type_taxonomies.json ADDED
The diff for this file is too large to render. See raw diff
 
ontokin/ontokin.rst CHANGED
@@ -45,7 +45,7 @@ Dataset Statistics
45
  ------------------
46
  Generated Benchmarks:
47
  - **Term Types**: 0
48
- - **Taxonomic Relations**: 138
49
  - **Non-taxonomic Relations**: 1
50
  - **Average Terms per Type**: 0.00
51
 
@@ -57,7 +57,7 @@ Usage Example
57
 
58
  # Initialize and load ontology
59
  ontology = OntoKin()
60
- ontology.load("path/to/ontology.owl")
61
 
62
  # Extract datasets
63
  data = ontology.extract()
 
45
  ------------------
46
  Generated Benchmarks:
47
  - **Term Types**: 0
48
+ - **Taxonomic Relations**: 51
49
  - **Non-taxonomic Relations**: 1
50
  - **Average Terms per Type**: 0.00
51
 
 
57
 
58
  # Initialize and load ontology
59
  ontology = OntoKin()
60
+ ontology.load("path/to/ontology.OWL")
61
 
62
  # Extract datasets
63
  data = ontology.extract()
ontokin/term_typings.json ADDED
@@ -0,0 +1 @@
 
 
1
+ []
ontokin/type_non_taxonomic_relations.json ADDED
@@ -0,0 +1,17 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "types": [
3
+ "RateCoefficient",
4
+ "ReactionRateCoefficient"
5
+ ],
6
+ "relations": [
7
+ "equivalentClass"
8
+ ],
9
+ "non_taxonomies": [
10
+ {
11
+ "ID": "NR_f297f7c2",
12
+ "head": "ReactionRateCoefficient",
13
+ "tail": "RateCoefficient",
14
+ "relation": "equivalentClass"
15
+ }
16
+ ]
17
+ }
ontokin/type_taxonomies.json ADDED
@@ -0,0 +1,303 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "types": [
3
+ "SurfaceCoverageReaction",
4
+ "PLOGReaction",
5
+ "FallOffModelCoefficient",
6
+ "GasPhase",
7
+ "CHEBReaction",
8
+ "LindemannReaction",
9
+ "ArrheniusReaction",
10
+ "LiquidPhase",
11
+ "Phase",
12
+ "PublicationSpecification",
13
+ "ThermoModel",
14
+ "Species",
15
+ "Organization",
16
+ "SitePhase",
17
+ "Product",
18
+ "ThreeBodyReaction",
19
+ "LandauTellerReaction",
20
+ "ReverseReaction",
21
+ "GasPhaseReaction",
22
+ "BulkPhase",
23
+ "SolidPhase",
24
+ "FallOffReaction",
25
+ "RateCoefficient",
26
+ "SurfaceReaction",
27
+ "Reactant",
28
+ "PressureDependentReaction",
29
+ "SRIReaction",
30
+ "JournalSpecification",
31
+ "LandauTellerRateCoefficient",
32
+ "ArrheniusCoefficient",
33
+ "ForwardReaction",
34
+ "TroeReaction",
35
+ "CHEBRateCoefficient",
36
+ "Person",
37
+ "CoverageDependency",
38
+ "ProceedingsSpecification",
39
+ "Agent",
40
+ "ChemicalReaction",
41
+ "PreprintSpecification",
42
+ "StickingCoefficient",
43
+ "StickingCoefficientReaction",
44
+ "NASA"
45
+ ],
46
+ "taxonomies": [
47
+ {
48
+ "ID": "TR_1f7634a6",
49
+ "parent": "RateCoefficient",
50
+ "child": "ArrheniusCoefficient"
51
+ },
52
+ {
53
+ "ID": "TR_823ad696",
54
+ "parent": "RateCoefficient",
55
+ "child": "CHEBRateCoefficient"
56
+ },
57
+ {
58
+ "ID": "TR_68438d1b",
59
+ "parent": "RateCoefficient",
60
+ "child": "CoverageDependency"
61
+ },
62
+ {
63
+ "ID": "TR_8f81ca01",
64
+ "parent": "RateCoefficient",
65
+ "child": "FallOffModelCoefficient"
66
+ },
67
+ {
68
+ "ID": "TR_356d27ba",
69
+ "parent": "RateCoefficient",
70
+ "child": "LandauTellerRateCoefficient"
71
+ },
72
+ {
73
+ "ID": "TR_03f6b9c4",
74
+ "parent": "RateCoefficient",
75
+ "child": "StickingCoefficient"
76
+ },
77
+ {
78
+ "ID": "TR_280e684b",
79
+ "parent": "GasPhaseReaction",
80
+ "child": "ArrheniusReaction"
81
+ },
82
+ {
83
+ "ID": "TR_3c3c24ce",
84
+ "parent": "GasPhaseReaction",
85
+ "child": "LandauTellerReaction"
86
+ },
87
+ {
88
+ "ID": "TR_91acfbd7",
89
+ "parent": "GasPhaseReaction",
90
+ "child": "ThreeBodyReaction"
91
+ },
92
+ {
93
+ "ID": "TR_a27ea2eb",
94
+ "parent": "GasPhaseReaction",
95
+ "child": "ArrheniusReaction"
96
+ },
97
+ {
98
+ "ID": "TR_accbbe35",
99
+ "parent": "Phase",
100
+ "child": "BulkPhase"
101
+ },
102
+ {
103
+ "ID": "TR_9ce5340a",
104
+ "parent": "Phase",
105
+ "child": "GasPhase"
106
+ },
107
+ {
108
+ "ID": "TR_975004ab",
109
+ "parent": "Phase",
110
+ "child": "LiquidPhase"
111
+ },
112
+ {
113
+ "ID": "TR_ce0ea4ad",
114
+ "parent": "Phase",
115
+ "child": "SitePhase"
116
+ },
117
+ {
118
+ "ID": "TR_133ff331",
119
+ "parent": "Phase",
120
+ "child": "SolidPhase"
121
+ },
122
+ {
123
+ "ID": "TR_102d01b0",
124
+ "parent": "Phase",
125
+ "child": "BulkPhase"
126
+ },
127
+ {
128
+ "ID": "TR_6aaafa5c",
129
+ "parent": "PressureDependentReaction",
130
+ "child": "CHEBReaction"
131
+ },
132
+ {
133
+ "ID": "TR_58ad5a5b",
134
+ "parent": "PressureDependentReaction",
135
+ "child": "FallOffReaction"
136
+ },
137
+ {
138
+ "ID": "TR_3950dee9",
139
+ "parent": "PressureDependentReaction",
140
+ "child": "PLOGReaction"
141
+ },
142
+ {
143
+ "ID": "TR_4aa511ff",
144
+ "parent": "PressureDependentReaction",
145
+ "child": "CHEBReaction"
146
+ },
147
+ {
148
+ "ID": "TR_924d0543",
149
+ "parent": "PressureDependentReaction",
150
+ "child": "FallOffReaction"
151
+ },
152
+ {
153
+ "ID": "TR_5eabdf25",
154
+ "parent": "ChemicalReaction",
155
+ "child": "ForwardReaction"
156
+ },
157
+ {
158
+ "ID": "TR_a7d4926c",
159
+ "parent": "ChemicalReaction",
160
+ "child": "GasPhaseReaction"
161
+ },
162
+ {
163
+ "ID": "TR_713d7caa",
164
+ "parent": "ChemicalReaction",
165
+ "child": "ReverseReaction"
166
+ },
167
+ {
168
+ "ID": "TR_da313262",
169
+ "parent": "ChemicalReaction",
170
+ "child": "SurfaceReaction"
171
+ },
172
+ {
173
+ "ID": "TR_321ce714",
174
+ "parent": "Phase",
175
+ "child": "GasPhase"
176
+ },
177
+ {
178
+ "ID": "TR_443ce512",
179
+ "parent": "ChemicalReaction",
180
+ "child": "GasPhaseReaction"
181
+ },
182
+ {
183
+ "ID": "TR_9289a34c",
184
+ "parent": "PublicationSpecification",
185
+ "child": "JournalSpecification"
186
+ },
187
+ {
188
+ "ID": "TR_22044d89",
189
+ "parent": "PublicationSpecification",
190
+ "child": "PreprintSpecification"
191
+ },
192
+ {
193
+ "ID": "TR_aac0a117",
194
+ "parent": "PublicationSpecification",
195
+ "child": "ProceedingsSpecification"
196
+ },
197
+ {
198
+ "ID": "TR_20f1d783",
199
+ "parent": "PublicationSpecification",
200
+ "child": "JournalSpecification"
201
+ },
202
+ {
203
+ "ID": "TR_c153b953",
204
+ "parent": "GasPhaseReaction",
205
+ "child": "LandauTellerReaction"
206
+ },
207
+ {
208
+ "ID": "TR_40deca64",
209
+ "parent": "FallOffReaction",
210
+ "child": "LindemannReaction"
211
+ },
212
+ {
213
+ "ID": "TR_daf3b45c",
214
+ "parent": "FallOffReaction",
215
+ "child": "SRIReaction"
216
+ },
217
+ {
218
+ "ID": "TR_3c84565f",
219
+ "parent": "FallOffReaction",
220
+ "child": "TroeReaction"
221
+ },
222
+ {
223
+ "ID": "TR_0991a9a8",
224
+ "parent": "ThermoModel",
225
+ "child": "NASA"
226
+ },
227
+ {
228
+ "ID": "TR_e6a0d1eb",
229
+ "parent": "ThreeBodyReaction",
230
+ "child": "PressureDependentReaction"
231
+ },
232
+ {
233
+ "ID": "TR_72c4d1b5",
234
+ "parent": "Species",
235
+ "child": "Product"
236
+ },
237
+ {
238
+ "ID": "TR_2480a0dc",
239
+ "parent": "Species",
240
+ "child": "Reactant"
241
+ },
242
+ {
243
+ "ID": "TR_dc42261b",
244
+ "parent": "Species",
245
+ "child": "Reactant"
246
+ },
247
+ {
248
+ "ID": "TR_79e48739",
249
+ "parent": "Phase",
250
+ "child": "SitePhase"
251
+ },
252
+ {
253
+ "ID": "TR_c04e1cd1",
254
+ "parent": "SurfaceReaction",
255
+ "child": "StickingCoefficientReaction"
256
+ },
257
+ {
258
+ "ID": "TR_89926111",
259
+ "parent": "SurfaceReaction",
260
+ "child": "SurfaceCoverageReaction"
261
+ },
262
+ {
263
+ "ID": "TR_fc5d4be4",
264
+ "parent": "SurfaceReaction",
265
+ "child": "StickingCoefficientReaction"
266
+ },
267
+ {
268
+ "ID": "TR_5c368894",
269
+ "parent": "SurfaceReaction",
270
+ "child": "SurfaceCoverageReaction"
271
+ },
272
+ {
273
+ "ID": "TR_5648ee1e",
274
+ "parent": "ChemicalReaction",
275
+ "child": "SurfaceReaction"
276
+ },
277
+ {
278
+ "ID": "TR_ddc75aa8",
279
+ "parent": "ChemicalReaction",
280
+ "child": "SurfaceReaction"
281
+ },
282
+ {
283
+ "ID": "TR_134bc011",
284
+ "parent": "GasPhaseReaction",
285
+ "child": "ThreeBodyReaction"
286
+ },
287
+ {
288
+ "ID": "TR_d332c5a5",
289
+ "parent": "GasPhaseReaction",
290
+ "child": "ThreeBodyReaction"
291
+ },
292
+ {
293
+ "ID": "TR_60f36e19",
294
+ "parent": "Agent",
295
+ "child": "Organization"
296
+ },
297
+ {
298
+ "ID": "TR_1a83797f",
299
+ "parent": "Agent",
300
+ "child": "Person"
301
+ }
302
+ ]
303
+ }
proco/proco.rst CHANGED
@@ -46,7 +46,7 @@ Dataset Statistics
46
  ------------------
47
  Generated Benchmarks:
48
  - **Term Types**: 14
49
- - **Taxonomic Relations**: 2975
50
  - **Non-taxonomic Relations**: 1
51
  - **Average Terms per Type**: 7.00
52
 
@@ -58,7 +58,7 @@ Usage Example
58
 
59
  # Initialize and load ontology
60
  ontology = PROCO()
61
- ontology.load("path/to/ontology.owl")
62
 
63
  # Extract datasets
64
  data = ontology.extract()
 
46
  ------------------
47
  Generated Benchmarks:
48
  - **Term Types**: 14
49
+ - **Taxonomic Relations**: 1757
50
  - **Non-taxonomic Relations**: 1
51
  - **Average Terms per Type**: 7.00
52
 
 
58
 
59
  # Initialize and load ontology
60
  ontology = PROCO()
61
+ ontology.load("path/to/ontology.OWL")
62
 
63
  # Extract datasets
64
  data = ontology.extract()
proco/term_typings.json ADDED
@@ -0,0 +1,100 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ [
2
+ {
3
+ "ID": "TT_298e6b51",
4
+ "term": "terms merged",
5
+ "types": [
6
+ "obsolescence reason specification"
7
+ ]
8
+ },
9
+ {
10
+ "ID": "TT_6c871fb5",
11
+ "term": "term split",
12
+ "types": [
13
+ "obsolescence reason specification"
14
+ ]
15
+ },
16
+ {
17
+ "ID": "TT_67bdb31f",
18
+ "term": "term imported",
19
+ "types": [
20
+ "obsolescence reason specification"
21
+ ]
22
+ },
23
+ {
24
+ "ID": "TT_1a09c3cb",
25
+ "term": "placeholder removed",
26
+ "types": [
27
+ "obsolescence reason specification"
28
+ ]
29
+ },
30
+ {
31
+ "ID": "TT_92d7cb81",
32
+ "term": "failed exploratory term",
33
+ "types": [
34
+ "obsolescence reason specification"
35
+ ]
36
+ },
37
+ {
38
+ "ID": "TT_d375489a",
39
+ "term": "uncurated",
40
+ "types": [
41
+ "curation status specification"
42
+ ]
43
+ },
44
+ {
45
+ "ID": "TT_eb571099",
46
+ "term": "organizational term",
47
+ "types": [
48
+ "curation status specification"
49
+ ]
50
+ },
51
+ {
52
+ "ID": "TT_0f2a1d2c",
53
+ "term": "requires discussion",
54
+ "types": [
55
+ "curation status specification"
56
+ ]
57
+ },
58
+ {
59
+ "ID": "TT_0ad6e94c",
60
+ "term": "pending final vetting",
61
+ "types": [
62
+ "curation status specification"
63
+ ]
64
+ },
65
+ {
66
+ "ID": "TT_3201dd7b",
67
+ "term": "metadata complete",
68
+ "types": [
69
+ "curation status specification"
70
+ ]
71
+ },
72
+ {
73
+ "ID": "TT_7bbc6475",
74
+ "term": "metadata incomplete",
75
+ "types": [
76
+ "curation status specification"
77
+ ]
78
+ },
79
+ {
80
+ "ID": "TT_9a3cd7d5",
81
+ "term": "ready for release",
82
+ "types": [
83
+ "curation status specification"
84
+ ]
85
+ },
86
+ {
87
+ "ID": "TT_0b5dd5cd",
88
+ "term": "example to be eventually removed",
89
+ "types": [
90
+ "curation status specification"
91
+ ]
92
+ },
93
+ {
94
+ "ID": "TT_f7943604",
95
+ "term": "to be replaced with external ontology term",
96
+ "types": [
97
+ "curation status specification"
98
+ ]
99
+ }
100
+ ]
proco/type_non_taxonomic_relations.json ADDED
@@ -0,0 +1,17 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "types": [
3
+ "Graham condensor",
4
+ "coil condenser"
5
+ ],
6
+ "relations": [
7
+ "disjointWith"
8
+ ],
9
+ "non_taxonomies": [
10
+ {
11
+ "ID": "NR_3825244e",
12
+ "head": "Graham condensor",
13
+ "tail": "coil condenser",
14
+ "relation": "disjointWith"
15
+ }
16
+ ]
17
+ }
proco/type_taxonomies.json ADDED
The diff for this file is too large to render. See raw diff
 
psimod/psimod.rst CHANGED
@@ -49,7 +49,7 @@ Dataset Statistics
49
  ------------------
50
  Generated Benchmarks:
51
  - **Term Types**: 0
52
- - **Taxonomic Relations**: 8347
53
  - **Non-taxonomic Relations**: 0
54
  - **Average Terms per Type**: 0.00
55
 
@@ -61,7 +61,7 @@ Usage Example
61
 
62
  # Initialize and load ontology
63
  ontology = PSIMOD()
64
- ontology.load("path/to/ontology.owl")
65
 
66
  # Extract datasets
67
  data = ontology.extract()
 
49
  ------------------
50
  Generated Benchmarks:
51
  - **Term Types**: 0
52
+ - **Taxonomic Relations**: 7913
53
  - **Non-taxonomic Relations**: 0
54
  - **Average Terms per Type**: 0.00
55
 
 
61
 
62
  # Initialize and load ontology
63
  ontology = PSIMOD()
64
+ ontology.load("path/to/ontology.OWL")
65
 
66
  # Extract datasets
67
  data = ontology.extract()
psimod/term_typings.json ADDED
@@ -0,0 +1 @@
 
 
1
+ []
psimod/type_non_taxonomic_relations.json ADDED
@@ -0,0 +1,5 @@
 
 
 
 
 
 
1
+ {
2
+ "types": [],
3
+ "relations": [],
4
+ "non_taxonomies": []
5
+ }
psimod/type_taxonomies.json ADDED
The diff for this file is too large to render. See raw diff