COSMIC: Molecular Conformation Space Modeling in Internal Coordinates with an Adversarial Framework-Reference-Cited by-同舟云学术

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COSMIC: Molecular Conformation Space Modeling in Internal Coordinates with an Adversarial Framework

Published:2024-04-26 Issue:9 Volume:64 Page:3610-3620
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Kuznetsov Maksim¹^ORCID,Ryabov Fedor²^ORCID,Schutski Roman²^ORCID,Shayakhmetov Rim¹^ORCID,Lin Yen-Chu³^ORCID,Aliper Alex²^ORCID,Polykovskiy Daniil¹^ORCID

Affiliation:

1. Insilico Medicine Canada Inc., 1250 René-Lévesque Ouest, Suite 3710, Montréal, Québec H3B 4W8, Canada

2. Insilico Medicine Hong Kong Ltd., Unit 310, 3/F, Building 8W, Phase 2, Hong Kong Science Park, Pak Shek Kok, New Territories, Hong Kong 999077, China

3. Insilico Medicine Taiwan Ltd., Taipei City 110208, Taiwan

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00989

Reference54 articles.

1. The rise of deep learning in drug discovery

2. Applications of machine learning in drug discovery and development

3. Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules

4. Deep learning enables rapid identification of potent DDR1 kinase inhibitors

5. MoleculeNet: a benchmark for molecular machine learning

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