DeepDDS: deep graph neural network with attention mechanism to predict synergistic drug combinations.

Journal: Briefings in bioinformatics
Published Date: Jan 17, 2022

Abstract

MOTIVATION: Drug combination therapy has become an increasingly promising method in the treatment of cancer. However, the number of possible drug combinations is so huge that it is hard to screen synergistic drug combinations through wet-lab experiments. Therefore, computational screening has become an important way to prioritize drug combinations. Graph neural network has recently shown remarkable performance in the prediction of compound-protein interactions, but it has not been applied to the screening of drug combinations.

Authors

  • Jinxian Wang
    School of Computer Science and Engineering, Central South University,410075, Changsha, China.
  • Xuejun Liu
    Department of Radiology, Hospital Affiliated to Qingdao University, Qingdao, China.
  • Siyuan Shen
  • Lei Deng
    1] Center for Brain Inspired Computing Research (CBICR), Department of Precision Instrument, Tsinghua University, Beijing 100084, China [2] Optical Memory National Engineering Research Center, Department of Precision Instrument, Tsinghua University, Beijing 100084, China.
  • Hui Liu
    Institute of Urology and Nephrology, The First Affiliated Hospital of Guangxi Medical University, Nanning, China.

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