Literature DB >> 17092778

QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES.

Andrey Toropov1, Karel Nesmerak, Ivan Raska, Karel Waisser, Karel Palat.   

Abstract

Optimal descriptors calculated with Simplified Molecular Input Line Entry System (SMILES) notation have been used in quantitative structure-property relationships (QSPR) modeling electrochemical half-wave potential of benzoxazine derivatives by one-variable correlations.

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Year:  2006        PMID： 17092778     DOI： 10.1016/j.compbiolchem.2006.09.003

Source DB:  PubMed          Journal:  Comput Biol Chem        ISSN： 1476-9271            Impact factor:   2.877


  2 in total

1.  Large-scale structure-activity relationship study of hepatitis C virus NS5B polymerase inhibition using SMILES-based descriptors.

Authors:  Apilak Worachartcheewan; Virapong Prachayasittikul; Alla P Toropova; Andrey A Toropov; Chanin Nantasenamat
Journal:  Mol Divers       Date:  2015-11       Impact factor: 2.943

2.  QSAR Studying of Oxidation Behavior of Benzoxazines as an Important Pharmaceutical Property.

Authors:  Elham Baher; Naser Darzi
Journal:  Iran J Pharm Res       Date:  2017       Impact factor: 1.696
  2 in total

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