Explainable Deep Relational Networks for Predicting Compound-Protein Affinities and Contacts
Mostafa Karimi, Di Jia Wu, Zhangyang Wang, Yang Shen
This paper develops interpretable deep learning models for structure-free compound-protein affinity prediction and contact mapping, showing improved interpretability and performance.
Journal of Chemical Information and Modeling · Dec 21, 2020Peer-reviewedBioinformatics