A de novo molecular generation method using latent vector based generative adversarial network
Journal article, 2019
Autoencoder networks
Generative adversarial networks
Molecular design
Deep learning
Author
Oleksii Shevtsov
AstraZeneca AB
Student at Chalmers
Simon Johansson
AstraZeneca AB
Chalmers, Computer Science and Engineering (Chalmers), Data Science
Panagiotis Christos Kotsias
AstraZeneca AB
Josep Arús-Pous
University of Bern
AstraZeneca AB
Esben Jannik Bjerrum
AstraZeneca AB
Ola Engkvist
AstraZeneca AB
Hongming Chen
Chinese Academy of Sciences
AstraZeneca AB
Journal of Cheminformatics
1758-2946 (ISSN) 17582946 (eISSN)
Vol. 11 1 74Subject Categories (SSIF 2011)
Pharmaceutical Sciences
Bioinformatics (Computational Biology)
Probability Theory and Statistics
DOI
10.1186/s13321-019-0397-9