XGraphBoost: Extracting Graph Neural Network-Based Features for a Better Prediction of Molecular Properties-Reference-Cited by-同舟云学术

XGraphBoost: Extracting Graph Neural Network-Based Features for a Better Prediction of Molecular Properties

Published:2021-05-19 Issue:6 Volume:61 Page:2697-2705
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Deng Daiguo¹,Chen Xiaowei¹,Zhang Ruochi¹²,Lei Zengrong¹,Wang Xiaojian³^ORCID,Zhou Fengfeng²^ORCID

Affiliation:

1. Fermion Technology Co., Ltd., Guangzhou, Guangdong 510000, P.R. China

2. College of Computer Science and Technology, and Key Laboratory of Symbolic Computation and Knowledge Engineering of Ministry of Education, Jilin University, Changchun, Jilin 130012, P.R. China

3. State Key Laboratory of Bioactive Substances and Functions of Natural Medicines, Institute of Materia Medica, Peking Union Medical College and Chinese Academy of Medical Sciences, Beijing 100050, P.R. China

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c01489

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