Interpretable bilinear attention network with domain adaptation improves drug-target prediction

Peizhen Bai, Filip Miljkovic, Bino John, Haiping Lu

Abstract: Predicting drug–target interaction with computational models has attracted a lot of attention, but it is a difficult problem to generalize across domains to out-of-distribution data. Bai et al. present here a method that aims to model local interactions of proteins and drug molecules while being interpretable and provide cross-domain generalization.