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Mini-Reviews in Organic Chemistry

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ISSN (Print): 1570-193X
ISSN (Online): 1875-6298

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Mini-Review Article

Molecular Descriptors and QSSR Models in Asymmetric Catalysis

Author(s): Xinliang Yu*

Volume 19, Issue 8, 2022

Published on: 28 March, 2022

Page: [933 - 938] Pages: 6

DOI: 10.2174/1570193X19666220301145748

Price: $65

Abstract

The 2021 Nobel Prize in Chemistry was awarded to small molecule asymmetric organocatalysis. Quantitative structure−selectivity relationships (QSSR) based on linear free energy relationships are crucial to predicting enantioselectivity in asymmetric catalytic reactions and to gaining insight into the catalytic mechanism. Molecular descriptors describing steric effects and/or electronic effects are described in this review. Subsequently, QSSR models in enantioselective catalysis are analyzed and prospected.

Keywords: Asymmetric catalysis, electronic parameters, linear free-energy relationship, quantitative structure−selectivity relationship, steric parameters, molecular descriptions.

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