Concepedia

Elena Gelžinytė

EG

6

Publications

167

Citations

6

H-Index

2018

Active since

Affiliations

University of Cambridge(Current)

University of Milano-Bicocca

ETH Zurich

United States Naval Research Laboratory

Elena Gelžinytė is an author at University of Cambridge specializing in natural sciences, physics, and quantum machine learning.

ORCID

Top concepts

Publications per year

2018–2023

6

Publications

6

Computer-Assisted Discovery of Retinoid X Receptor Modulating Natural Products and Isofunctional Mimetics

Daniel Merk, Francesca Grisoni, Lukas Friedrich et al. · Journal of Medicinal Chemistry · 2018 · 50 citations · Full text

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ACEpotentials.jl: A Julia implementation of the atomic cluster expansion

William C. Witt, Cas van der Oord, Elena Gelžinytė et al. · The Journal of Chemical Physics · 2023 · 36 citations · Full text

, , +18

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

Elena Gelžinytė, Mario Öeren, Matthew Segall et al. · Journal of Chemical Theory and Computation · 2023 · 25 citations · Full text

Neural network activation similarity: a new measure to assist decision making in chemical toxicology

Timothy E. H. Allen, Andrew J. Wedlake, Elena Gelžinytė et al. · Chemical Science · 2020 · 24 citations · Full text

Scaffold hopping from synthetic RXR modulators by virtual screening and <i>de novo</i> design

Daniel Merk, Francesca Grisoni, Lukas Friedrich et al. · MedChemComm · 2018 · 20 citations · Full text

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