Open access
Sep 2026
Genome-wide-scale prediction of compound-protein interactions using foundation and language models based on three-dimensional structures of compounds and proteins.
MOTIVATION The identification of compound-protein interactions (CPIs) is crucial in the early stages of drug discovery. However, machine-learning (ML)-based methods based on one- and two-dimensional representations cannot capture important geometric information on the binding sites of CPIs, which limits their predictiv...
Yuga Moriyama, Yuki Matsukiyo, Tsuyoshi Kimura et al.
· Bioinformatics · 0 citations