Molecular Property Prediction Based on a Multichannel Substructure Graph

Molecular Property Prediction Based on a Multichannel Substructure Graph

Molecular property prediction is important to drug design. With the development of artificial intelligence, deep learning methods are effective for extracting molecular features. In this paper, we propose a multichannel substructure-graph gated recurrent unit (GRU) architecture, which is a novel GRU...

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Bibliographic Details
Main Authors: Shuang Wang, Zhen Li, Shugang Zhang, Mingjian Jiang, Xiaofeng Wang, Zhiqiang Wei
Format: Article
Language:English
Published: IEEE 2020-01-01
Series:IEEE Access
Subjects:
Molecular graph
molecular property prediction
substructure-graph
Online Access:https://ieeexplore.ieee.org/document/8964313/

Internet

https://ieeexplore.ieee.org/document/8964313/

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