Multi-channel GCN ensembled machine learning model for molecular aqueous solubility prediction on a clean dataset-Reference-Cited by-同舟云学术

Multi-channel GCN ensembled machine learning model for molecular aqueous solubility prediction on a clean dataset

Published:2022-06-23 Issue: Volume: Page:
ISSN:1381-1991
Container-title:Molecular Diversity
language:en
Short-container-title:Mol Divers

Author:

Deng Chenglong,Liang Li,Xing Guomeng,Hua Yi,Lu Tao,Zhang Yanmin,Chen Yadong,Liu Haichun

Funder

National Natural Science Foundation of China

State Key Laboratory Innovation Research and Cultivation Fund

“Double World-classes” Construction Program of China Pharmaceutical University

Publisher

Springer Science and Business Media LLC

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Drug Discovery,Molecular Biology,General Medicine,Information Systems,Catalysis

Link

https://link.springer.com/content/pdf/10.1007/s11030-022-10465-x.pdf

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