idse-HE

idse-HE: hybrid embedding graph neural network for drug side effects prediction

data files

case_fold1.npy: The predictions originally considered negative samples in the first fold are sorted in descending order of prediction scores.
drugs.txt: list of drugs.
sideeffects.txt: list of side effects.
drug_se_matrix.txt : Drug-SideEffect association matrix.
drugs.fpt: drug molecular fingerprints.
drugs.smiles: smiles of drugs.
drugs_structure_MPNN_ToxCast.npy: drug molecular structure features.