Exhaustive local chemical space exploration using a transformer model
Journal article, 2024
DRUG DISCOVERY
Author
Alessandro Tibo
AstraZeneca R&D
Jiazhen He
AstraZeneca R&D
Jon Paul Janet
AstraZeneca R&D
Eva Nittinger
AstraZeneca R&D
Ola Engkvist
AstraZeneca AB
Chalmers, Computer Science and Engineering (Chalmers)
Nature Communications
2041-1723 (ISSN) 20411723 (eISSN)
Vol. 15 1 7315Subject Categories
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