Comparison of QSPR models of octanol/water partition coefficient for vitamins and non vitamins.
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.
Raska
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I
3rd Medical Department, 1st Faculty of Medicine, Charles University in Prague, U Nemocnice 1, 12808 Prague 2, Czech Republic.
Toropov
A
A
D008956:Models, Chemical; D000442:Octanols / Q000737:chemistry*; D021281:Quantitative Structure-Activity Relationship; D012995:Solubility; D014815:Vitamins / Q000737:chemistry*; D014867:Water / Q000737:chemistry*
D000442:Octanols; D014815:Vitamins; D014867:Water