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Atom Type Independent Modeling of the Conformational Energy of Benzylic, Allylic, and Other Bonds Adjacent to Conjugated Systems.
Champion, Candide; Barigye, Stephen J; Wei, Wanlei; Liu, Zhaomin; Labute, Paul; Moitessier, Nicolas.
Affiliation
  • Champion C; Department of Chemistry , McGill University , 801 Sherbrooke Street W. , Montréal , QC , Canada H3A 0B8.
  • Barigye SJ; Department of Chemistry , McGill University , 801 Sherbrooke Street W. , Montréal , QC , Canada H3A 0B8.
  • Wei W; Department of Chemistry , McGill University , 801 Sherbrooke Street W. , Montréal , QC , Canada H3A 0B8.
  • Liu Z; Department of Chemistry , McGill University , 801 Sherbrooke Street W. , Montréal , QC , Canada H3A 0B8.
  • Labute P; Chemical Computing Group Inc. , 1010 Sherbrooke Street W. , Montréal , QC , Canada H3A 2R7.
  • Moitessier N; Department of Chemistry , McGill University , 801 Sherbrooke Street W. , Montréal , QC , Canada H3A 0B8.
J Chem Inf Model ; 59(11): 4750-4763, 2019 11 25.
Article in En | MEDLINE | ID: mdl-31589815
Subject(s)
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Full text: 1 Database: MEDLINE Main subject: Benzene Derivatives / Allyl Compounds Type of study: Prognostic_studies Language: En Year: 2019 Type: Article
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Full text: 1 Database: MEDLINE Main subject: Benzene Derivatives / Allyl Compounds Type of study: Prognostic_studies Language: En Year: 2019 Type: Article