De Novo Drug Design Using Reinforcement Learning with Graph-Based Deep Generative Models
Author:
Affiliation:
1. Molecular AI, Discovery Sciences, R&D, AstraZeneca Gothenburg, Pepparedsleden 1, 431 50Mölndal, Sweden
2. Department of Computer Science and Engineering, Chalmers University of Technology, Rännvägen 6, 412 58Göteborg, Sweden
Funder
AstraZeneca
Knut och Alice Wallenbergs Stiftelse
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.2c00838
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1. De Novo Design of Bioactive Small Molecules by Artificial Intelligence
2. De novo design of anticancer peptides by ensemble artificial neural networks
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