REINVENT 2.0: An AI Tool for De Novo Drug Design-Reference-Cited by-同舟云学术

REINVENT 2.0: An AI Tool for De Novo Drug Design

Published:2020-10-29 Issue:12 Volume:60 Page:5918-5922
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Blaschke Thomas¹,Arús-Pous Josep¹²,Chen Hongming³,Margreitter Christian¹,Tyrchan Christian⁴,Engkvist Ola¹^ORCID,Papadopoulos Kostas¹,Patronov Atanas¹^ORCID

Affiliation:

1. Hit Discovery, Discovery Sciences, R&D, AstraZeneca, Pepparedsleden 1, Gothenburg 43183, Sweden

2. Department of Chemistry and Biochemistry, University of Bern, Freiestrasse 3, 3012 Bern, Switzerland

3. Chemistry and Chemical Biology Centre, Guangzhou Regenerative Medicine and Health Guangdong Laboratory, Science Park, 510530 Guangzhou, China

4. Medicinal Chemistry, Early RIA, Biopharmaceuticals R&D, AstraZeneca, Pepparedsleden 1, Gothenburg 43183, Sweden

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.0c00915

Reference34 articles.

1. SMILES-Based Deep Generative Scaffold Decorator for De-Novo Drug Design

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

3. Efficient multi-objective molecular optimization in a continuous latent space

4. De Novo Design of Bioactive Small Molecules by Artificial Intelligence

5. Automated De Novo Design in Medicinal Chemistry: Which Types of Chemistry Does a Generative Neural Network Learn?

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