Exploring Graph Traversal Algorithms in Graph-Based Molecular Generation
Journal article, 2022
Author
Rocio Mercado
AstraZeneca AB
Esben Jannik Bjerrum
AstraZeneca AB
Ola Engkvist
AstraZeneca AB
Chalmers, Computer Science and Engineering (Chalmers)
Journal of Chemical Information and Modeling
1549-9596 (ISSN) 1549960x (eISSN)
Vol. 62 9 2093-2100Subject Categories
Bioinformatics (Computational Biology)
Geophysics
Geosciences, Multidisciplinary
DOI
10.1021/acs.jcim.1c00777
PubMed
34757744