Machine learnt patterns in rhodium-catalysed asymmetric Michael addition using chiral diene ligands

Interpretable featurisation allows Quantitative Structure-Property Relationships (QSPR) between chiral diene ligand structures and product stereoselectivities in rhodium-catalysed asymmetric Michael additions (RhCASA). The machine learning approach developed herein is simple to implement yet provide...

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Bibliographic Details
Main Authors: Benjamin Owen, Katherine Wheelhouse, Grazziela Figueredo, Ender Özcan, Simon Woodward
Format: Article
Language:English
Published: Elsevier 2022-01-01
Series:Results in Chemistry
Online Access:http://www.sciencedirect.com/science/article/pii/S2211715622000984