Exhaustive local chemical space exploration using a transformer model
Journal article, 2024
DRUG DISCOVERY
Author
Alessandro Tibo
AstraZeneca AB
Jiazhen He
AstraZeneca AB
Jon Paul Janet
AstraZeneca AB
Eva Nittinger
AstraZeneca AB
Ola Engkvist
Chalmers, Computer Science and Engineering (Chalmers)
AstraZeneca AB
Nature Communications
2041-1723 (ISSN) 20411723 (eISSN)
Vol. 15 1 7315Subject Categories (SSIF 2011)
Chemical Sciences
DOI
10.1038/s41467-024-51672-4
PubMed
39183239
Related datasets
PubChem and ChEMBL-series processed dataset used in Exhaustive local chemical space exploration using a transformer model [dataset]
DOI: 10.5281/zenodo.12818281