Elena Gelžinytė

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 6

Top Topics

Electron Transfer

Minimally Invasive

Machine Learning

Top Venues

Journal of chemical theory and computation

Chemical science

This page only lists publications with an associated author ORCID identifier.

Publications

Elena Gelžinytė, Mario Öeren, Matthew D Segall, Gábor Csányi
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules. Journal of chemical theory and computation 20 (1) (2023)
Elena Gelžinytė, Mario Öeren, Matthew D Segall, Gábor Csányi
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules. Journal of chemical theory and computation 20 (1) (2023)
Elena Gelžinytė, Mario Öeren, Matthew D Segall, Gábor Csányi
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules. Journal of chemical theory and computation (2023)
Elena Gelžinytė, Mario Öeren, Matthew D Segall, Gábor Csányi
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules. Journal of chemical theory and computation (2023)
Elena Gelžinytė, Mario Öeren, Matthew D Segall, Gábor Csányi
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules. Journal of chemical theory and computation 20 (1) (2023)
Timothy E H Allen, Andrew J Wedlake, Elena Gelžinytė, Charles Gong, Jonathan M Goodman, Steve Gutsell, Paul J Russell
Neural network activation similarity: a new measure to assist decision making in chemical toxicology. Chemical science 11 (28) (2020)