Background

Drug-induced liver injury (DILI) is fatal liver disease caused by drugs and it has been the single most frequent cause of safety-related drug marketing withdrawals for the past 50 years (e.g. iproniazid, ticrynafen, benoxaprofen). This dataset is aggregated from U.S. FDA’s National Center for Toxicological Research.

Description of readout

Task Description: Binary classification. Given a drug SMILES string, predict whether it can cause liver injury (1) or not (0).

Data resource

Reference: [1] Deep Learning for Drug-Induced Liver Injury