Identifying Structure–Property Relationships through SMILES Syntax Analysis with Self-Attention Mechanism-Reference-Cited by-同舟云学术

Identifying Structure–Property Relationships through SMILES Syntax Analysis with Self-Attention Mechanism

Published:2019-01-22 Issue:2 Volume:59 Page:914-923
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Zheng Shuangjia¹,Yan Xin¹,Yang Yuedong²³,Xu Jun¹⁴^ORCID

Affiliation:

1. Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, 132 East Circle at University City, Guangzhou 510006, China

2. National Supercomputer Center in Guangzhou, Sun Yat-sen University, Guangzhou 510006, China

3. Key Laboratory of Machine Intelligence and Advanced Computing, Ministry of Education, Sun Yat-sen University, Guangzhou 510000, China

4. School of Computer Science & Technology, Wuyi University, 99 Yingbin Road, Jiangmen 529020, China

Funder

Ministry of Science and Technology of the People's Republic of China

National Natural Science Foundation of China

Natural Science Foundation of Guangdong Province

Guangdong Province

Program for Guangdong Introducing Innovative and Enterpreneurial Teams

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.8b00803

Reference39 articles.

1. QSAR Modeling: Where Have You Been? Where Are You Going To?

2. Machine learning in chemoinformatics and drug discovery

3. Deep learning

4. Deep Neural Nets as a Method for Quantitative Structure–Activity Relationships

5. KDEEP: Protein–Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks

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