Implementation of machine learning protocols to predict the hydrolysis reaction properties of organophosphorus substrates using descriptors of electron density topology

Research output: Contribution to journal › Article › peer-review

Original language	English
Article number	3
Pages (from-to)	170-182
Number of pages	13
Journal	Journal of Computational Chemistry
Volume	45
Issue number	3
Early online date	29 Sep 2023
DOIs	https://doi.org/10.1002/jcc.27227
State	Published - 30 Jan 2024

Quantum Theory of Atoms In Molecules (QTAIM), catalysis, catalytic antibodies, computational chemistry, machine learning

ID: 108691502