Artificial neural network approach for predicting blood brain barrier permeability based on a group contribution method.

Journal: Computer methods and programs in biomedicine
Published Date: Mar 1, 2021

Abstract

BACKGROUND AND OBJECTIVE: The purpose of this study was to develop a quantitative structure-activity relationship (QSAR) model for the prediction of blood brain barrier (BBB) permeability by using artificial neural networks (ANN) in combination with molecular structure and property descriptors.

Authors

  • Zeyu Wu
    School of Food and Biological Engineering, Hefei University of Technology, Hefei 230601, China; Engineering Research Center of Bio-Process, Ministry of Education, Hefei University of Technology, Hefei 230601, China. Electronic address: wuzeyu@hfut.edu.cn.
  • Zhaojun Xian
    School of Food and Biological Engineering, Hefei University of Technology, Hefei 230601, China; Engineering Research Center of Bio-Process, Ministry of Education, Hefei University of Technology, Hefei 230601, China.
  • Wanru Ma
    School of Food and Biological Engineering, Hefei University of Technology, Hefei 230601, China; Engineering Research Center of Bio-Process, Ministry of Education, Hefei University of Technology, Hefei 230601, China.
  • Qingsong Liu
  • Xusheng Huang
    School of Food and Biological Engineering, Hefei University of Technology, Hefei 230601, China; Engineering Research Center of Bio-Process, Ministry of Education, Hefei University of Technology, Hefei 230601, China.
  • Baoyi Xiong
    School of Food and Biological Engineering, Hefei University of Technology, Hefei 230601, China; Engineering Research Center of Bio-Process, Ministry of Education, Hefei University of Technology, Hefei 230601, China.
  • Shudong He
    School of Food and Biological Engineering, Hefei University of Technology, Hefei 230601, China; Engineering Research Center of Bio-Process, Ministry of Education, Hefei University of Technology, Hefei 230601, China.
  • Wencheng Zhang
    School of Food and Biological Engineering, Hefei University of Technology, Hefei 230601, China; Engineering Research Center of Bio-Process, Ministry of Education, Hefei University of Technology, Hefei 230601, China. Electronic address: zwc1012@163.com.

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