Molecular substructure graph attention network for molecular property identification in drug discovery
Author:
Funder
National Natural Science Foundation of China
Publisher
Elsevier BV
Subject
Artificial Intelligence,Computer Vision and Pattern Recognition,Signal Processing,Software
Reference41 articles.
1. Drug Discovery and Development E-Book: Technology in Transition;Hill,2021
2. Machine learning methods for property prediction in chemoinformatics: quo vadis?;Varnek;J. Chem. Inf. Model.,2012
3. Moleculenet: a benchmark for molecular machine learning;Wu;Chem. Sci.,2018
4. Opportunities and obstacles for deep learning in biology and medicine;Ching;J. R. Soc. Interface,2018
5. The rise of deep learning in drug discovery;Chen;Drug Discov. Today,2018
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