DOI: 10.1039/d6ra03044k ISSN: 2046-2069
µORScreen: a lightweight consensus modeling framework for µ-opioid receptor ligand prediction and virtual screening
Keyu Chen, Juan Huang, Jiangcheng Xu, Dengwen Bai, Tao Bi, Zengjin Liu, Qin Sun, Yong DaiµORScreen integrates leakage-aware benchmarking and a LightGBM–TabPFN–RF consensus to prioritize µ-opioid receptor antagonist-like compounds, with SHAP interpretation and an openly accessible deployment workflow.