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Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules. (2024)

First Author: Gelžinyte E
Attributed to:  Support for the UKCP consortium funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.3c00710

PubMed Identifier: 38108269

Publication URI: http://europepmc.org/abstract/MED/38108269

Type: Journal Article/Review

Volume: 20

Parent Publication: Journal of chemical theory and computation

Issue: 1

ISSN: 1549-9618