561 citations · 568 across the 6 of their papers we have counts for
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q-bio.BM2019★ 5 cited
Explainable Deep Relational Networks for Predicting Compound-Protein Affinities and Contacts
Mostafa Karimi, Di Wu, Zhangyang Wang +1
Predicting compound-protein affinity is critical for accelerating drug discovery. Recent progress made by machine learning focuses on accuracy but leaves much to be desired for int…
q-bio.BM2018★ 561 cited
DeepAffinity: Interpretable Deep Learning of Compound-Protein Affinity through Unified Recurrent and Convolutional Neural Networks
Mostafa Karimi, Di Wu, Zhangyang Wang +1
Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from s…