%VBur index and steric maps: from predictive catalysis to machine learning

Sílvia Escayola; Naeimeh Bahri-Laleh; Albert Poater

doi:10.1039/d3cs00725a

journal article Open Access Jan 01, 2024

%VBur index and steric maps: from predictive catalysis to machine learning

Sílvia Escayola

Naeimeh Bahri-Laleh

Albert Poater

Chemical Society Reviews Vol. 53 No. 2 pp. 853-882 · Royal Society of Chemistry (RSC)

View at Publisher Save 10.1039/d3cs00725a

Abstract

Steric indices are parameters used in chemistry to describe the spatial arrangement of atoms or groups of atoms in molecules.

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Details

Published: Jan 01, 2024
Vol/Issue: 53(2)
Pages: 853-882
License: View

Authors

S

Sílvia Escayola

Institut de Química Computacional i Catàlisi and Departament de Química, Universitat de Girona, c/Mª Aurèlia Capmany 69, 17003 Girona, Catalonia, Spain; Donostia International Physics Center (DIPC), 20018 Donostia, Euskadi, Spain

N

Naeimeh Bahri-Laleh

Iran Polymer and Petrochemical Institute (IPPI), P.O. Box 14965/115, Tehran, Iran; Institute for Sustainability with Knotted Chiral Meta Matter (WPI-SKCM), Hiroshima University, Hiroshima, 739-8526, Japan

A

Albert Poater

Institut de Química Computacional i Catàlisi and Departament de Química, Universitat de Girona, c/Mª Aurèlia Capmany 69, 17003 Girona, Catalonia, Spain

Funding

Institució Catalana de Recerca i Estudis Avançats Award: ICREA Acadèmia 2019

MINISTERIO DE CIENCIA E INNOVACIÓN Award: PID2021-127423NB-I00

Cite This Article

Sílvia Escayola, Naeimeh Bahri-Laleh, Albert Poater (2024). %VBur index and steric maps: from predictive catalysis to machine learning. Chemical Society Reviews, 53(2), 853-882. https://doi.org/10.1039/d3cs00725a

%VBur index and steric maps: from predictive catalysis to machine learning

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