Bioactivity foundation model for hit identification and hit-to-lead optimization from sequence data
Huan Yee Koh, Harvey Jia Wei Koh, Yizhen Zheng, Vivek Naranbhai, Daniel Francis Schmidt, Johan Barthélemy, Ying-Ja Chen, Anh T. N. Nguyen, Shirui Pan, Lauren Therese May, Geoffrey I. Webb
PSICHIC+ is a bioactivity foundation model that predicts binding affinities from sequence data, improving hit identification and hit-to-lead optimization using heterogeneous bioactivity data.
bioRxiv · Oct 31, 2026 · PreprintBioinformatics