DeepAffinity: interpretable deep learning of compound-protein affinity through unified recurrent and convolutional neural networks.

Journal: Bioinformatics (Oxford, England)
Published Date: Sep 15, 2019

Abstract

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 sequences alone with high applicability, accuracy and interpretability.

Authors

  • Mostafa Karimi
    Department of Electrical and Computer Engineering, College Station, TX, USA.
  • Di Wu
    University of Melbourne, Melbourne, VIC 3010 Australia.
  • Zhangyang Wang
    Departments of Electrical and Computer Engineering & Computer Science and Engineering Texas A&M University, College Station, TX 77840.
  • Yang Shen
    Departments of Electrical and Computer Engineering & Computer Science and Engineering Texas A&M University, College Station, TX 77840.

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