Prediction of drug protein interactions based on variable scale characteristic pyramid convolution network.

Journal: Methods (San Diego, Calif.)
Published Date:

Abstract

MOTIVATION: In the process of drug screening, it is significant to improve the accuracy of drug-target binding affinity prediction. A multilayer convolutional neural network is one of the most popular existing methods for predicting affinity based on deep learning. It uses multiple convolution layers to extract features from the simplified molecular input system (SMILES) strings of the compounds and amino acid sequences of proteins and then performs affinity prediction analysis. However, the semantic information contained in low-level features can gradually be lost due to the increasing network depth, which affects the prediction performance.

Authors

  • Yuanlong Chen
    School of Financial Mathematics & Statistics, Guangdong University of Finance, Guangzhou 510521, China.
  • Yan Zhu
    Department of Chemistry, Xixi Campus, Zhejiang University, Hangzhou, 310028, China. Electronic address: zhuyan@zju.edu.cn.
  • Zitong Zhang
    The Second Clinical College, Chongqing Medical University, Chongqing, China.
  • Junjie Wang
    School of Computer Science and Technology, Harbin Institute of Technology, Harbin, China.
  • Chunyu Wang
    School of Computer Science and Technology, Harbin Institute of Technology, Harbin, China.