FraHMT: A Fragment-Oriented Heterogeneous Graph Molecular Generation Model for Target Proteins-Reference-Cited by-同舟云学术

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FraHMT: A Fragment-Oriented Heterogeneous Graph Molecular Generation Model for Target Proteins

Published:2024-04-22 Issue:9 Volume:64 Page:3718-3732
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Wang Shuang¹^ORCID,Liang Dingming¹^ORCID,Wang Jianmin¹²^ORCID,Dong Kaiyu¹^ORCID,Zhang Yunjing¹^ORCID,Liang Huicong³,Xu Ximing³^ORCID,Song Tao¹⁴

Affiliation:

1. College of Computer Science and Technology, China University of Petroleum, QingDao 266580, China

2. The Interdisciplinary Graduate Program in Integrative Biotechnology, Yonsei University, Incheon 21983, Republic of Korea

3. Marine Biomedical Institute of Qingdao, School of Medicine and Pharmacy, Ocean University of China, QingDao 266580, China

4. Department of Artificial Intelligence, Faculty of Computer Science, Polytechnical University of Madrid, Madrid 28031, Spain

Funder

Shandong Provincial Natural Science Foundation

Natural Science Foundation of China

Shandong Province Youth Innovation and Technology Program Innovation Team

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c00252

Reference54 articles.

1. Principles of early drug discovery

2. Estimation of the size of drug-like chemical space based on GDB-17 data

3. De Novo Drug Design

4. De novo molecular design with deep molecular generative models for PPI inhibitors

5. Deep learning approaches for de novo drug design: An overview

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