Literature DB >> 19431177

Is enantioselectivity predictable in asymmetric catalysis?

John M Brown1, Robert J Deeth.   

Abstract

Seeing into the future: A range of computational methods have been applied to harmonize predicted ee values with experimental values. Novel ways of combining quantum mechanics and molecular mechanics feature prominently.

Year:  2009        PMID： 19431177     DOI： 10.1002/anie.200900697

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


  6 in total

1.  Multidimensional steric parameters in the analysis of asymmetric catalytic reactions.

Authors:  Kaid C Harper; Elizabeth N Bess; Matthew S Sigman
Journal:  Nat Chem       Date:  2012-03-18       Impact factor: 24.427

2.  Quantum Molecular Interaction Field Models of Substrate Enantioselection in Asymmetric Processes.

Authors:  Marisa C Kozlowski; James C Ianni
Journal:  J Mol Catal A Chem       Date:  2010-06-01

3.  Diastereoselectivity in Lewis-acid-catalyzed Mukaiyama aldol reactions: a DFT study.

Authors:  Joshua M Lee; Paul Helquist; Olaf Wiest
Journal:  J Am Chem Soc       Date:  2012-08-31       Impact factor: 15.419

4.  Ligand scaffold optimization of a supramolecular hydrogenation catalyst: Analyzing the influence of key structural subunits on reactivity and selectivity.

Authors:  Nathan C Thacker; Shin A Moteki; James M Takacs
Journal:  ACS Catal       Date:  2012-11-05       Impact factor: 13.084

5.  Hybridizing Feature Selection and Feature Learning Approaches in QSAR Modeling for Drug Discovery.

Authors:  Ignacio Ponzoni; Víctor Sebastián-Pérez; Carlos Requena-Triguero; Carlos Roca; María J Martínez; Fiorella Cravero; Mónica F Díaz; Juan A Páez; Ramón Gómez Arrayás; Javier Adrio; Nuria E Campillo
Journal:  Sci Rep       Date:  2017-05-25       Impact factor: 4.379

Review 6.  Predictive and mechanistic multivariate linear regression models for reaction development.

Authors:  Celine B Santiago; Jing-Yao Guo; Matthew S Sigman
Journal:  Chem Sci       Date:  2018-01-23       Impact factor: 9.825
  6 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.