Recognition in the domain of molecular chirality: from noncovalent interactions to separation of enantiomers
P Peluso, B Chankvetadze - Chemical Reviews, 2022 - ACS Publications
It is not a coincidence that both chirality and noncovalent interactions are ubiquitous in
nature and synthetic molecular systems. Noncovalent interactivity between chiral molecules …
nature and synthetic molecular systems. Noncovalent interactivity between chiral molecules …
Modern approaches for asymmetric construction of carbon–fluorine quaternary stereogenic centers: synthetic challenges and pharmaceutical needs
New methods for preparation of tailor-made fluorine-containing compounds are in extremely
high demand in nearly every sector of chemical industry. The asymmetric construction of …
high demand in nearly every sector of chemical industry. The asymmetric construction of …
Exploiting non-covalent π interactions for catalyst design
Molecular recognition, binding and catalysis are often mediated by non-covalent interactions
involving aromatic functional groups. Although the relative complexity of these so-called π …
involving aromatic functional groups. Although the relative complexity of these so-called π …
Holistic prediction of enantioselectivity in asymmetric catalysis
When faced with unfamiliar reaction space, synthetic chemists typically apply the reported
conditions (reagents, catalyst, solvent and additives) of a successful reaction to a desired …
conditions (reagents, catalyst, solvent and additives) of a successful reaction to a desired …
Predictive and mechanistic multivariate linear regression models for reaction development
CB Santiago, JY Guo, MS Sigman - Chemical science, 2018 - pubs.rsc.org
Multivariate Linear Regression (MLR) models utilizing computationally-derived and
empirically-derived physical organic molecular descriptors are described in this review …
empirically-derived physical organic molecular descriptors are described in this review …
The development of multidimensional analysis tools for asymmetric catalysis and beyond
Conspectus In most modern organic chemistry reports, including many of ours, reaction
optimization schemes are typically presented to showcase how reaction conditions have …
optimization schemes are typically presented to showcase how reaction conditions have …
Data science meets physical organic chemistry
JM Crawford, C Kingston, FD Toste… - Accounts of chemical …, 2021 - ACS Publications
Conspectus At the heart of synthetic chemistry is the holy grail of predictable catalyst design.
In particular, researchers involved in reaction development in asymmetric catalysis have …
In particular, researchers involved in reaction development in asymmetric catalysis have …
Quantitative structure–selectivity relationships in enantioselective catalysis: past, present, and future
The dawn of the 21st century has brought with it a surge of research related to computer-
guided approaches to catalyst design. In the past two decades, chemoinformatics, the …
guided approaches to catalyst design. In the past two decades, chemoinformatics, the …
Pursuit of noncovalent interactions for strategic site-selective catalysis
Selective reactions on structures of high complexity can move beyond the mind's eye and
proof-of-principle. Enhanced understanding of noncovalent interactions and their …
proof-of-principle. Enhanced understanding of noncovalent interactions and their …
A data-driven workflow for assigning and predicting generality in asymmetric catalysis
The development of chiral catalysts that can provide high enantioselectivities across a wide
assortment of substrates or reaction range is a priority for many catalyst design efforts. While …
assortment of substrates or reaction range is a priority for many catalyst design efforts. While …