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.
- Graph of atomic orbitals (GAO)
- Octanol/water partition coefficient
ASJC Scopus subject areas
- Molecular Medicine
- Organic Chemistry
- Drug Discovery
- Pharmaceutical Science