MvGraphDTA: multi-view-based graph deep model for drug-target affinity prediction by introducing the graphs and line graphs.

Journal: BMC biology
Published Date:

Abstract

BACKGROUND: Accurately identifying drug-target affinity (DTA) plays a pivotal role in drug screening, design, and repurposing in pharmaceutical industry. It not only reduces the time, labor, and economic costs associated with biological experiments but also expedites drug development process. However, achieving the desired level of computational accuracy for DTA identification methods remains a significant challenge.

Authors

  • Xin Zeng
    Electrical and Computer Engineering Department, University of California, Los Angeles, CA, 90095, USA.
  • Kai-Yang Zhong
    College of Mathematics and Computer Science, Dali University, Dali, 671003, China.
  • Pei-Yan Meng
    College of Mathematics and Computer Science, Dali University, Dali, 671003, China.
  • Shu-Juan Li
    Yunnan Institute of Endemic Diseases Control and Prevention, Dali, 671000, China.
  • Shuang-Qing Lv
    Institute of Surveying and Information Engineering West, Yunnan University of Applied Science, Dali, 671000, China.
  • Meng-Liang Wen
    State Key Laboratory for Conservation and Utilization of Bio-Resources in Yunnan, Yunnan University, Kunming, 650000, China.
  • Yi Li
    Wuhan Zoncare Bio-Medical Electronics Co., Ltd, Wuhan, China.