pair_id
int64
intervention_id
int64
condition_id
int64
smiles
string
inchikey
string
inchikey_connectivity
string
chembl_id
string
molecular_type
string
intervention_type
string
condition_name
string
mesh_id
string
confidence_tier
string
primary_failure_category
string
num_trials
int64
num_sources
int64
highest_phase_reached
string
intervention_degree
int64
condition_degree
int64
target_count
int64
earliest_completion_year
float64
split_random
string
split_cold_drug
string
split_cold_condition
string
split_temporal
string
split_scaffold
string
split_degree_balanced
string
189,153
3
4
null
null
null
null
null
drug
Healthy Participants
Arbovirus Infections
gold
safety
12
2
phase_3
4,088
44
0
2,012
train
train
train
train
null
train
189,154
3
5
null
null
null
null
null
drug
Heart Failure
Cardiovascular Diseases
gold
efficacy
62
2
phase_4
4,088
185
0
2,006
train
train
train
train
null
train
189,155
3
6
null
null
null
null
null
drug
Plaque Psoriasis
null
gold
efficacy
22
1
phase_4
4,088
71
0
2,015
test
train
train
train
null
train
189,156
3
7
null
null
null
null
null
drug
Bladder Cancer
Carcinoma
gold
efficacy
8
1
phase_3
4,088
136
0
2,011
train
train
test
train
null
train
189,157
3
8
null
null
null
null
null
drug
Healthy
null
gold
efficacy
91
2
phase_4
4,088
457
0
2,008
train
train
val
train
null
train
189,158
3
10
null
null
null
null
null
drug
Cardiovascular Disease
Cardiovascular Diseases
gold
efficacy
22
1
phase_4
4,088
55
0
2,007
test
train
train
train
null
train
189,159
3
19
null
null
null
null
null
drug
Exercise
Behavior
gold
efficacy
1
1
phase_4
4,088
3
0
null
train
train
train
train
null
train
189,160
3
20
null
null
null
null
null
drug
Sleep
Behavior
gold
efficacy
5
2
phase_4
4,088
19
0
2,013
train
train
train
train
null
test
189,161
3
21
null
null
null
null
null
drug
Cicatrix
Cicatrix
copper
other
1
1
phase_2
4,088
7
0
2,022
train
train
train
test
null
train
189,162
3
22
null
null
null
null
null
drug
Pruritus
Pathological Conditions, Signs and Symptoms
gold
efficacy
6
2
phase_4
4,088
34
0
2,014
train
train
train
train
null
train
189,163
3
24
null
null
null
null
null
drug
Pulmonary Hypertension
Cardiovascular Diseases
gold
efficacy
22
2
phase_4
4,088
64
0
2,009
train
train
train
train
null
train
189,164
3
25
null
null
null
null
null
drug
Leukemia
Burkitt Lymphoma
gold
efficacy
8
1
phase_3
4,088
260
0
2,009
train
train
train
train
null
train
189,165
3
26
null
null
null
null
null
drug
Lymphoma
Burkitt Lymphoma
gold
efficacy
11
1
phase_3
4,088
361
0
2,009
train
train
train
train
null
train
189,166
3
27
null
null
null
null
null
drug
Epilepsy
Brain Diseases
gold
efficacy
15
2
phase_4
4,088
62
0
2,003
train
train
train
train
null
train
189,167
3
30
null
null
null
null
null
drug
Adenocarcinoma of the Pancreas
Actinomycetales Infections
bronze
efficacy
1
1
phase_2
4,088
17
0
2,012
val
train
test
train
null
train
189,168
3
31
null
null
null
null
null
drug
Cognition
Breast Diseases
gold
efficacy
1
1
phase_4
4,088
4
0
2,010
test
train
train
train
null
train
189,169
3
32
null
null
null
null
null
drug
Aging
Breast Diseases
gold
enrollment
8
1
phase_3
4,088
29
0
2,015
val
train
train
train
null
train
189,170
3
35
null
null
null
null
null
drug
Ischemia
Arterial Occlusive Diseases
gold
enrollment
2
1
phase_4
4,088
11
0
2,011
train
train
val
train
null
test
189,171
3
36
null
null
null
null
null
drug
Prostate Cancer
Genital Diseases
gold
efficacy
27
2
phase_4
4,088
418
0
2,004
test
train
train
train
null
test
189,172
3
37
null
null
null
null
null
drug
Metastatic Colorectal Cancer
Colonic Diseases
gold
efficacy
9
1
phase_3
4,088
132
0
2,010
train
train
train
train
null
train
189,173
3
38
null
null
null
null
null
drug
Rosacea
Rosacea
gold
efficacy
2
1
phase_3
4,088
18
0
2,008
test
train
val
train
null
train
189,174
3
39
null
null
null
null
null
drug
Advanced Hepatocellular Carcinoma
Adenocarcinoma
silver
safety
2
1
phase_2
4,088
18
0
2,009
train
train
test
train
null
train
189,175
3
41
null
null
null
null
null
drug
Bipolar Disorder
Bipolar Disorder
gold
efficacy
43
2
phase_4
4,088
102
0
2,007
test
train
train
train
null
train
189,176
3
43
null
null
null
null
null
drug
NAFLD
Digestive System Diseases
silver
efficacy
4
1
phase_2
4,088
12
0
2,017
train
train
train
train
null
train
189,177
3
46
null
null
null
null
null
drug
Pyoderma Gangrenosum
Colitis
bronze
efficacy
1
1
phase_3
4,088
7
0
2,025
train
train
train
test
null
train
189,178
3
47
null
null
null
null
null
drug
Crohn's Disease
Colitis
gold
efficacy
46
2
phase_4
4,088
141
0
2,008
train
train
train
train
null
train
189,179
3
48
null
null
null
null
null
drug
Ulcerative Colitis
Colitis
gold
efficacy
61
2
phase_4
4,088
168
0
2,009
test
train
train
train
null
train
189,180
3
49
null
null
null
null
null
drug
Inflammatory Bowel Disease
Colitis
bronze
enrollment
4
2
phase_3
4,088
21
0
2,014
train
train
train
train
null
train
189,181
3
50
null
null
null
null
null
drug
HIV Infections
Blood-Borne Infections
gold
efficacy
38
2
phase_4
4,088
368
0
1,996
test
train
test
train
null
train
189,182
3
51
null
null
null
null
null
drug
Healthy Volunteer
null
copper
other
3
1
phase_1
4,088
14
0
2,020
val
train
test
test
null
train
189,183
3
52
null
null
null
null
null
drug
Myeloma
Blood Protein Disorders
silver
efficacy
1
1
phase_2
4,088
53
0
2,022
train
train
test
test
null
test
189,184
3
53
null
null
null
null
null
drug
Stem Cell Transplantation
Blood Protein Disorders
bronze
enrollment
1
1
phase_1_2
4,088
25
0
2,011
train
train
test
train
null
train
189,185
3
54
null
null
null
null
null
drug
Acute Myeloid Leukemia
Hematologic Diseases
gold
efficacy
7
2
phase_3
4,088
286
0
2,017
train
train
train
train
null
test
189,186
3
56
null
null
null
null
null
drug
Graft vs Host Disease
Graft vs Host Disease
bronze
enrollment
1
1
phase_2
4,088
41
0
2,021
train
train
train
test
null
train
189,187
3
58
null
null
null
null
null
drug
Pulmonary Disease, Chronic Obstructive
Chronic Disease
gold
efficacy
51
2
phase_4
4,088
212
0
2,008
train
train
train
train
null
train
189,188
3
60
null
null
null
null
null
drug
Hypertension
Cardiovascular Diseases
gold
efficacy
44
2
phase_4
4,088
326
0
2,006
train
train
train
train
null
train
189,189
3
63
null
null
null
null
null
drug
Chronic Hepatitis C
Blood-Borne Infections
silver
other
6
2
phase_3
4,088
55
0
2,008
test
train
test
train
null
test
189,190
3
64
null
null
null
null
null
drug
Schizophrenia
Behavior
gold
efficacy
97
2
phase_4
4,088
279
0
2,007
test
train
train
train
null
train
189,191
3
65
null
null
null
null
null
drug
Healthy Volunteers
Autoimmune Diseases
gold
other
46
2
phase_4
4,088
205
0
2,008
train
train
train
train
null
val
189,192
3
66
null
null
null
null
null
drug
Diabetes Mellitus, Type 1
Autoimmune Diseases
gold
efficacy
16
1
phase_3
4,088
113
0
2,009
train
train
train
train
null
train
189,193
3
67
null
null
null
null
null
drug
Immune Thrombocytopenia
Autoimmune Diseases
gold
efficacy
2
1
phase_3
4,088
8
0
2,015
train
train
train
train
null
train
189,194
3
68
null
null
null
null
null
drug
Metastatic Breast Cancer
Breast Diseases
gold
efficacy
10
1
phase_3
4,088
142
0
2,017
train
train
train
train
null
test
189,195
3
70
null
null
null
null
null
drug
Myelodysplastic Syndromes
Bone Marrow Diseases
gold
efficacy
16
2
phase_3
4,088
196
0
2,010
test
train
test
train
null
train
189,196
3
71
null
null
null
null
null
drug
Seasonal Allergic Rhinitis
Asthma
gold
efficacy
18
1
phase_4
4,088
39
0
1,993
train
train
train
train
null
test
189,197
3
72
null
null
null
null
null
drug
Asthma
Asthma
gold
efficacy
146
2
phase_4
4,088
589
0
2,003
train
train
train
train
null
test
189,198
3
73
null
null
null
null
null
drug
Metastatic Hormone-Sensitive Prostate Cancer
null
gold
efficacy
2
1
phase_3
4,088
8
0
2,023
test
train
train
test
null
test
189,199
3
74
null
null
null
null
null
drug
Acute Graft Versus Host Disease
Bronchial Diseases
copper
other
1
1
phase_3
4,088
10
0
2,021
val
train
train
test
null
train
189,200
3
75
null
null
null
null
null
drug
Erectile Dysfunction
Dyslipidemias
gold
efficacy
7
1
phase_4
4,088
41
0
2,008
train
train
train
train
null
train
189,201
3
79
null
null
null
null
null
drug
Alzheimer's Disease
Alzheimer Disease
gold
efficacy
78
2
phase_4
4,088
157
0
2,007
test
train
val
train
null
val
189,202
3
80
null
null
null
null
null
drug
Hepatitis C
Blood Protein Disorders
gold
efficacy
14
2
phase_4
4,088
105
0
2,010
train
train
test
train
null
train
189,203
3
81
null
null
null
null
null
drug
Cryoglobulinemia
Blood Protein Disorders
bronze
enrollment
1
1
phase_2
4,088
3
0
2,018
test
train
test
val
null
train
189,204
3
82
null
null
null
null
null
drug
Dengue
Arbovirus Infections
silver
efficacy
3
2
phase_2
4,088
7
0
2,020
test
train
train
test
null
train
189,205
3
83
null
null
null
null
null
drug
Hypersensitivity
Asthma
gold
efficacy
2
1
phase_3
4,088
14
0
2,020
train
train
train
test
null
train
189,206
3
85
null
null
null
null
null
drug
Lung Cancer
Bronchial Neoplasms
gold
efficacy
29
1
phase_3
4,088
250
0
2,008
train
train
train
train
null
test
189,207
3
88
null
null
null
null
null
drug
Glucose Metabolism Disorders
Brain Diseases
gold
efficacy
5
2
phase_4
4,088
18
0
2,007
train
train
train
train
null
train
189,208
3
92
null
null
null
null
null
drug
Xerostomia
Head and Neck Neoplasms
bronze
strategic
1
1
phase_2
4,088
12
0
2,012
test
train
val
train
null
train
189,209
3
95
null
null
null
null
null
drug
Atrial Fibrillation New Onset
Arrhythmias, Cardiac
bronze
enrollment
1
1
null
4,088
4
0
2,015
test
train
train
train
null
train
189,210
3
97
null
null
null
null
null
drug
COVID-19
COVID-19
gold
efficacy
150
2
phase_4
4,088
527
0
2,020
val
train
train
test
null
train
189,211
3
98
null
null
null
null
null
drug
SARS-CoV 2
COVID-19
bronze
other
5
2
phase_3
4,088
41
0
2,020
test
train
train
test
null
train
189,212
3
102
null
null
null
null
null
drug
Multiple Sclerosis
Autoimmune Diseases
gold
efficacy
63
2
phase_4
4,088
172
0
2,002
val
train
train
train
null
train
189,213
3
103
null
null
null
null
null
drug
Hepatocellular Carcinoma
Adenocarcinoma
gold
efficacy
13
2
phase_3
4,088
179
0
2,008
test
train
test
train
null
train
189,214
3
104
null
null
null
null
null
drug
Infertility
Adnexal Diseases
gold
enrollment
4
1
phase_4
4,088
99
0
2,011
train
train
train
train
null
train
189,215
3
107
null
null
null
null
null
drug
Postoperative Pain
Neurologic Manifestations
gold
efficacy
15
1
phase_4
4,088
128
0
2,008
train
train
train
train
null
val
189,216
3
108
null
null
null
null
null
drug
Non-Small Cell Lung Cancer
Bronchial Neoplasms
gold
efficacy
33
2
phase_3
4,088
317
0
2,008
val
train
train
train
null
train
189,217
3
111
null
null
null
null
null
drug
Cerebral Infarction
Brain Diseases
gold
efficacy
2
1
phase_4
4,088
8
0
2,008
test
train
train
train
null
train
189,218
3
113
null
null
null
null
null
drug
Acute Stroke
Brain Diseases
bronze
other
3
2
phase_3
4,088
9
0
2,012
train
train
train
train
null
train
189,219
3
114
null
null
null
null
null
drug
Brain Infarction
Brain Diseases
bronze
efficacy
2
1
phase_3
4,088
4
0
2,008
test
train
train
train
null
train
189,220
3
117
null
null
null
null
null
drug
Constipation
Basal Ganglia Diseases
gold
efficacy
11
1
phase_4
4,088
50
0
2,006
train
train
train
train
null
train
189,221
3
118
null
null
null
null
null
drug
Parkinson Disease
Basal Ganglia Diseases
gold
efficacy
29
2
phase_4
4,088
133
0
2,008
val
train
train
train
null
train
189,222
3
120
null
null
null
null
null
drug
Deep Vein Thrombosis
Cardiovascular Diseases
bronze
other
3
1
phase_4
4,088
24
0
2,003
train
train
train
train
null
val
189,223
3
121
null
null
null
null
null
drug
Pulmonary Embolism
Cardiovascular Diseases
bronze
other
5
2
phase_4
4,088
39
0
2,017
train
train
train
train
null
train
189,224
3
122
null
null
null
null
null
drug
Traumatic Brain Injury
Brain Damage, Chronic
gold
efficacy
13
2
phase_4
4,088
65
0
2,010
train
train
train
train
null
train
189,225
3
123
null
null
null
null
null
drug
Diabetes Mellitus
Cardiovascular Diseases
gold
efficacy
25
2
phase_4
4,088
170
0
2,004
train
train
train
train
null
train
189,226
3
124
null
null
null
null
null
drug
Essential Hypertension
Cardiovascular Diseases
silver
efficacy
2
1
phase_2_3
4,088
30
0
2,017
train
train
train
train
null
train
189,227
3
125
null
null
null
null
null
drug
Vomiting
Abdominal Pain
gold
efficacy
6
1
phase_3
4,088
47
0
2,010
test
train
train
train
null
train
189,228
3
126
null
null
null
null
null
drug
Nausea
Abdominal Pain
gold
efficacy
8
1
phase_4
4,088
58
0
2,010
train
train
train
train
null
val
189,229
3
127
null
null
null
null
null
drug
Abdominal Pain
Abdominal Pain
gold
efficacy
4
1
phase_3
4,088
12
0
2,008
val
train
train
train
null
val
189,230
3
128
null
null
null
null
null
drug
Cannabis Use
Abdominal Pain
copper
other
1
1
phase_3
4,088
3
0
2,023
test
train
train
test
null
train
189,231
3
129
null
null
null
null
null
drug
Melanoma
Melanoma
gold
efficacy
14
1
phase_3
4,088
265
0
2,008
train
train
val
train
null
train
189,232
3
133
null
null
null
null
null
drug
Autoimmune Diseases
Autoimmune Diseases
silver
efficacy
3
2
phase_4
4,088
12
0
2,024
test
train
train
test
null
train
189,233
3
135
null
null
null
null
null
drug
Acute Myeloid Leukemia (AML)
Hematologic Diseases
gold
efficacy
2
1
phase_3
4,088
84
0
2,024
train
train
train
test
null
train
189,234
3
138
null
null
null
null
null
drug
IgA Nephropathy
Autoimmune Diseases
silver
other
4
2
phase_3
4,088
19
0
2,018
train
train
train
val
null
train
189,235
3
140
null
null
null
null
null
drug
Menopause
Anxiety Disorders
gold
efficacy
19
2
phase_4
4,088
45
0
2,006
train
train
train
train
null
train
189,236
3
141
null
null
null
null
null
drug
Perimenopause
Anxiety Disorders
silver
efficacy
1
1
phase_1_2
4,088
2
0
2,024
train
train
train
test
null
train
189,237
3
142
null
null
null
null
null
drug
Generalized Myasthenia Gravis
Autoimmune Diseases
gold
efficacy
5
2
phase_3
4,088
9
0
2,020
val
train
train
test
null
train
189,238
3
143
null
null
null
null
null
drug
Type 1 Diabetes Mellitus
Autoimmune Diseases
gold
efficacy
15
1
phase_3
4,088
86
0
2,011
train
train
train
train
null
train
189,239
3
144
null
null
null
null
null
drug
T1D
Autoimmune Diseases
silver
efficacy
1
1
phase_2
4,088
3
0
2,020
train
train
train
test
null
train
189,240
3
145
null
null
null
null
null
drug
T1DM
Autoimmune Diseases
silver
efficacy
1
1
phase_2
4,088
3
0
2,020
train
train
train
test
null
train
189,241
3
150
null
null
null
null
null
drug
Type 1 Diabetes
Autoimmune Diseases
gold
efficacy
13
1
phase_4
4,088
86
0
2,010
train
train
train
train
null
train
189,242
3
153
null
null
null
null
null
drug
Clostridium Difficile
Bacterial Infections
gold
enrollment
4
1
phase_4
4,088
16
0
2,012
train
train
train
train
null
train
189,243
3
155
null
null
null
null
null
drug
Clostridium Difficile Infection Recurrence
Bacterial Infections
bronze
other
2
2
phase_4
4,088
3
0
2,019
train
train
train
val
null
val
189,244
3
158
null
null
null
null
null
drug
CDI
Bacterial Infections
silver
efficacy
1
1
phase_2
4,088
3
0
2,023
train
train
train
test
null
train
189,245
3
160
null
null
null
null
null
drug
Recurrent Clostridium Difficile Infection
Bacterial Infections
silver
efficacy
1
1
phase_2
4,088
7
0
2,023
train
train
train
test
null
train
189,246
3
161
null
null
null
null
null
drug
C.Difficile Diarrhea
Bacterial Infections
silver
efficacy
1
1
phase_2
4,088
2
0
2,023
val
train
train
test
null
val
189,247
3
164
null
null
null
null
null
drug
Chronic Hepatitis B
Blood-Borne Infections
gold
efficacy
11
2
phase_3
4,088
56
0
2,012
test
train
test
train
null
test
189,248
3
166
null
null
null
null
null
drug
Eye Infections, Bacterial
Bacterial Infections
gold
efficacy
1
1
phase_4
4,088
3
0
2,012
train
train
train
train
null
train
189,249
3
169
null
null
null
null
null
drug
Ocular Hypertension
Eye Diseases
silver
other
2
2
phase_4
4,088
82
0
2,020
train
train
train
test
null
train
189,250
3
170
null
null
null
null
null
drug
Esophageal Squamous Cell Carcinoma
Carcinoma
silver
efficacy
1
1
phase_2
4,088
30
0
2,023
train
train
test
test
null
train
189,251
3
173
null
null
null
null
null
drug
HIV
null
gold
efficacy
20
2
phase_4
4,088
114
0
2,009
train
train
test
train
null
train
189,252
3
175
null
null
null
null
null
drug
Myasthenia Gravis, Generalized
Autoimmune Diseases
gold
efficacy
1
1
phase_3
4,088
4
0
2,021
train
train
train
test
null
train