crossref2026-06-18
A hybrid framework integrating structural machine learning and 3D liver-on-chip assay for drug-induced liver injury prediction
Fan Zhang, Yu Zhou, Duanchen Ding, Feng Zhang, Rong-Rong Xiao, Xiaoni Ai
Abstract Drug-induced liver injury (DILI) remains a major cause of clinical attrition and postmarketing withdrawal, but structure only DILI predictors are difficult to compare because public benchmarks are vulnerable to compound overlap, scaffold similarity and shared label prove…