Machine learning to predict the specific optical rotations of chiral fluorinated molecules-Reference-Cited by-同舟云学术

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Machine learning to predict the specific optical rotations of chiral fluorinated molecules

Published:2019-12 Issue: Volume:223 Page:117289
ISSN:1386-1425
Container-title:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
language:en
Short-container-title:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Author:

Chen Mengyao,Wu Ting,Xiao Kaixia,Zhao Tanfeng,Zhou Yanmei,Zhang Qingyou,Aires-de-Sousa Joao^ORCID

Funder

National Natural Science Foundation of China

Foundation of International Science and Technology Cooperation of Henan Province

Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry

Science & Technology Innovation Team in Universities of Henan Province

Fundação para a Ciência e a Tecnologia

ERDF

Publisher

Elsevier BV

Subject

Spectroscopy,Instrumentation,Atomic and Molecular Physics, and Optics,Analytical Chemistry

Reference32 articles.

1. Emergent properties of an organic semiconductor driven by its molecular chirality;Yang;ACS Nano,2017

2. Enantioselective effects of chiral amide herbicides napropamide, acetochlor and propisochlor: the more efficient R-enantiomer and its environmental friendly;Xie;Sci. Total Environ.,2018

3. The predicated demise of racemic new molecular entities is an exaggeration;Agranat;Nat. Rev. Drug Discov.,2012

4. Effect of binding on enantioselectivity of epoxide hydrolase;Zaugg;J. Chem. Inf. Model.,2018

5. Determination of absolute configurations of chiral molecules using ab initio time-dependent density functional theory calculations of optical rotation: how reliable are absolute configurations obtained for molecules with small rotations?;Stephens;Chirality,2005

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

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