Contact residues for the eight selected small molecules. All residues contain are within 4 Å of a ligand atom. Residues in bold are common to all six ligands.
This record contains data for repeating the results presented in "Interaction Concordance Index: Performance Evaluation for Interaction Prediction Methods". It contains ground-truth drug–target affini
df.parquet.gzip is processed raw data. This has some genes but is not fully overwrapped with training/test data drug2actions.csv is processd data that has information about drugs' effectiveness. drug2
