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

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作者： Zeyu,Wu ^[1] ; Zhaojun,Xian ^[2] ; Wanru,Ma ^[2] ; Qingsong,Liu ^[2] ; Xusheng,Huang ^[2] ; Baoyi,Xiong ^[2] ; Shudong,He ^[2] ; Wencheng,Zhang ^[3]

作者单位： 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. ^[1] 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. ^[2] 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. ^[3]

关键词 Artificial neural network Blood brain barrier permeability Group contribution method UNIFAC log BB

主题词血脑屏障(Blood-Brain Barrier);数据库, 事实型(Databases, Factual);通透性(Permeability);量化构效关系(Quantitative Structure-Activity Relationship)

DOI 10.1016/j.cmpb.2021.105943

PMID 33515846

发布时间 2021-05-14

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