Natalia Dyubankova

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 2

Top Topics

Machine Learning

Molecular Dynamics

Top Venues

Chemical science

Journal of chemical information and modeling

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

Publications

Adarsh V Kalikadien, Cecile Valsecchi, Robbert van Putten, Tor Maes, Mikko Muuronen, Natalia Dyubankova, Laurent Lefort, Evgeny A Pidko
Probing machine learning models based on high throughput experimentation data for the discovery of asymmetric hydrogenation catalysts. Chemical science 15 (34) (2024)
Ramil I Nugmanov, Natalia Dyubankova, Andrey Gedich, Joerg Kurt Wegner
Bidirectional Graphormer for Reactivity Understanding: Neural Network Trained to Reaction Atom-to-Atom Mapping Task. Journal of chemical information and modeling 62 (14) (2022)