Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules (2023)
Attributed to:
The UK Car-Parrinello HEC Consortium
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.3c00710
Publication URI: http://dx.doi.org/10.1021/acs.jctc.3c00710
Type: Journal Article/Review
Parent Publication: Journal of Chemical Theory and Computation
Issue: 1
ISSN: 1549-9618