Comparison of QSPR models of octanol/water partition coefficient for vitamins and non vitamins

I. Raska, A. Toropov

Research output: Contribution to journalArticle

Abstract

Comparison of QSPR models for vitamins and for various substances, which are not vitamins indicates that vitamins have less number of molecular features (topologic and kinds of atomic orbitals), but, most probably, more complex mechanisms of interactions with molecules of water and octanol.

Original languageEnglish
Pages (from-to)1271-1278
Number of pages8
JournalEuropean Journal of Medicinal Chemistry
Volume41
Issue number11
DOIs
Publication statusPublished - Nov 2006

Keywords

  • Graph of atomic orbitals (GAO)
  • Octanol/water partition coefficient
  • QSPR
  • Vitamins

ASJC Scopus subject areas

  • Molecular Medicine
  • Organic Chemistry
  • Drug Discovery
  • Pharmaceutical Science

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