De Novo Drug Design Using Reinforcement Learning with Graph- Based Deep Generative Models
Journal article, 2022
Author
Sara Romeo Atance
AstraZeneca AB
Student at Chalmers
Juan Viguera Diez
Chalmers, Computer Science and Engineering (Chalmers), Data Science and AI
Ola Engkvist
Chalmers, Computer Science and Engineering (Chalmers)
Simon Olsson
Chalmers, Computer Science and Engineering (Chalmers), Data Science and AI
Rocio Mercado
AstraZeneca R&D
Journal of Chemical Information and Modeling
1549-9596 (ISSN) 1549960x (eISSN)
Vol. 62 20 4863-4872Subject Categories
Bioinformatics (Computational Biology)
Computer Science
Computer Systems
DOI
10.1021/acs.jcim.2c00838
PubMed
36219571