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/10.17863/cam.104555

Publication URI: https://www.repository.cam.ac.uk/handle/1810/362262

Type: Journal Article/Review