Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules (2023)

First Author: Gelžinyte E
Attributed to:  Interatomic Potentials for Small Molecule Radical Reactions 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