Graph networks for molecular design
Journal article, 2021
Drug discovery
Deep generative models
Molecular design
Graph neural networks
Author
Rocio Mercado
AstraZeneca AB
Tobias Rastemo
Student at Chalmers
AstraZeneca AB
Edvard Lindelöf
AstraZeneca AB
Student at Chalmers
Gunter Klambauer
Johannes Kepler University of Linz (JKU)
Ola Engkvist
AstraZeneca AB
Hongming Chen
Guangdong Laboratory
Esben Jannik Bjerrum
AstraZeneca AB
Machine Learning: Science and Technology
26322153 (eISSN)
Vol. 2 2 025023Subject Categories (SSIF 2011)
Other Computer and Information Science
Bioinformatics (Computational Biology)
Computer Systems
DOI
10.1088/2632-2153/abcf91