Quantitative interpretation explains machine learning models for chemical reaction prediction and uncovers bias. (2021)
Attributed to:
Probabilistic graph-to-graph model for reaction prediction and retrosynthetic route prediction
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1038/s41467-021-21895-w
PubMed Identifier: 33727552
Publication URI: http://europepmc.org/abstract/MED/33727552
Type: Journal Article/Review
Volume: 12
Parent Publication: Nature communications
Issue: 1
ISSN: 2041-1723