Abstract
The UPPER scheme uses four additive and two nonadditive parameters and several well-known equations to calculate 21 physical properties of organic compounds strictly from molecular structure. The scheme allows reasonable estimations of melting and boiling points, aqueous and octanol solubilities, air-octanol, air-water, and octanol-water partition coefficients, vapor pressure, and other properties. In this report non-hydrogen bonding aromatic compounds are used to evaluate a portion of the UPPER scheme.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 852-860 |
| Number of pages | 9 |
| Journal | Journal of pharmaceutical sciences |
| Volume | 88 |
| Issue number | 9 |
| DOIs | |
| State | Published - Sep 1999 |
ASJC Scopus subject areas
- Pharmaceutical Science
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