Derify/

antimalarial-classification

Binary classification dataset of small molecules represented as SMILES for predicting antimalarial activity.

Original dataset page

smiles (string): Canonical, isomeric SMILES. Unmodified from the source. label (int): Binary activity label, {0: Inactive, 1: Active}.

Mswahili, M.E.; Ndomba, G.E.; Jo, K.; Jeong, Y.-S. Graph Neural Network and BERT Model for Antimalarial Drug Predictions Using… See the full description on the dataset page: https://huggingface.co/datasets/Derify/antimalarial-classification.