Datasets:

train_drugs
list
ood_drugs
list
seed
int64
n_train
int64
n_ood
int64
stratum_counts
dict
swap_note
string
[ "2-Methoxyestradiol", "A-366", "ABT-737", "AG-490", "AMG-900", "AR-42", "AT9283", "AZ", "AZD1480", "Abexinostat", "Alisertib", "Altretamine", "Alvespimycin", "Aminoglutethimide", "Anacardic", "Andarine", "Aurora", "Avagacestat", "BMS-265246", "BMS-536924", "BMS-911543", "BR...
[ "AC480", "AG-14361", "AICAR", "Alendronate", "Amisulpride", "Azacitidine", "BMS-754807", "Belinostat", "CUDC-101", "Cimetidine", "Daphnetin", "GSK-LSD1", "INO-1001", "JNJ-26854165", "JNJ-7706621", "MLN8054", "Momelotinib", "NVP-BSK805", "Nintedanib", "PHA-680632", "Raltitrexe...
1
161
25
{ "PKC signaling": { "eligible": 3, "ood": 1 }, "Epigenetic regulation": { "eligible": 46, "ood": 5 }, "Cell cycle regulation": { "eligible": 21, "ood": 3 }, "Other": { "eligible": 6, "ood": 1 }, "Tyrosine kinase signaling": { "eligible": 29, "ood": 3 }, "JA...
v2b: swapped Belinostat (TRAIN->OOD) with SRT1720 (OOD->TRAIN). Both Epigenetic regulation stratum; iter169 plan named SRT2104 but that drug is in TRAIN under v2. Motivation: restore belinostat OOD to match the wet-lab narrative (MCF7 qPCR + microscopy).