Enhanced Graph Isomorphism Network for Molecular ADMET Properties Prediction

Enhanced Graph Isomorphism Network for Molecular ADMET Properties Prediction

The evaluation of absorption, distribution, metabolism, exclusion, and toxicity (ADMET) properties plays a key role in a variety of domains including industrial chemicals, agrochemicals, cosmetics, environmental science, food chemistry, and particularly drug development. Since molecules are often in...

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Bibliographic Details
Main Authors: Yuzhong Peng, Yanmei Lin, Xiao-Yuan Jing, Hao Zhang, Yiran Huang, Guang Sheng Luo
Format: Article
Language:English
Published: IEEE 2020-01-01
Series:IEEE Access
Subjects:
ADMET prediction
graph convolutional network
graph isomorphism network
molecular property
quantitative structure-property relationship
Online Access:https://ieeexplore.ieee.org/document/9189862/

Internet

https://ieeexplore.ieee.org/document/9189862/

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