TY - JOUR
T1 - UPPER III
T2 - Unified physical property estimation relationships. Application to non-hydrogen bonding aromatic compounds
AU - Jain, Neera
AU - Yalkowsky, Samuel H.
PY - 1999/9
Y1 - 1999/9
N2 - 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.
AB - 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.
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U2 - 10.1021/js990117p
DO - 10.1021/js990117p
M3 - Article
C2 - 10479346
AN - SCOPUS:0032845312
SN - 0022-3549
VL - 88
SP - 852
EP - 860
JO - Journal of pharmaceutical sciences
JF - Journal of pharmaceutical sciences
IS - 9
ER -