Molecular Descriptors and QSSR Models in Asymmetric Catalysis

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.