Virtual screening of a combinatorial library of enantioselective catalysts with chirality codes and counterpropagation neural networks-Reference-Cited by-同舟云学术

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Virtual screening of a combinatorial library of enantioselective catalysts with chirality codes and counterpropagation neural networks

Published:2011-12 Issue:2 Volume:109 Page:113-119
ISSN:0169-7439
Container-title:Chemometrics and Intelligent Laboratory Systems
language:en
Short-container-title:Chemometrics and Intelligent Laboratory Systems

Author:

Zhang Qing-You,Zhang Dan-Dan,Li Jing-Ya,Zhou Yan-Mei,Xu Lu

Publisher

Elsevier BV

Subject

Spectroscopy,Process Chemistry and Technology,Computer Science Applications,Software,Analytical Chemistry

Reference32 articles.

1. A screening study of ChirBase molecular database to explore the expanded chiral pool derived from the application of chiral chromatography

2. Design of a Genetic Algorithm for the Simulated Evolution of a Library of Asymmetric Transfer Hydrogenation Catalysts

3. Prediction of Enantiomeric Excess in a Combinatorial Library of Catalytic Enantioselective Reactions

4. Theory and application of medium to high throughput prediction method techniques for asymmetric catalyst design☆

5. New Description of Molecular Chirality and Its Application to the Prediction of the Preferred Enantiomer in Stereoselective Reactions

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1. Computational methods for training set selection and error assessment applied to catalyst design: guidelines for deciding which reactions to run first and which to run next;Reaction Chemistry & Engineering;2021

2. Machine Learning Classification of One-Chiral-Center Organic Molecules According to Optical Rotation;Journal of Chemical Information and Modeling;2020-12-22

3. Quantitative Structure–Selectivity Relationships in Enantioselective Catalysis: Past, Present, and Future;Chemical Reviews;2019-12-30

4. Machine learning to predict the specific optical rotations of chiral fluorinated molecules;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2019-12

5. Highly selective atomic chiral index and its application to automatic assignment of chiral centers in chiral compounds;Chemometrics and Intelligent Laboratory Systems;2017-10

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