✦ LIBER ✦

Prediction of water–octanol partition coefficients using theoretical descriptors derived from the molecular surface area and the electrostatic potential

✍ Scribed by Haeberlein, Markus; Brinck, Tore

Book ID: 120324683
Publisher: Royal Society of Chemistry
Year: 1997
Tongue: English
Weight: 369 KB
Volume: 2
Category: Article
ISSN: 1472-779X
DOI: 10.1039/A604687H

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Octanol/water partition coefficients exp

Octanol/water partition coefficients expressed in terms of solute molecular surface areas and electrostatic potentials

✍ Brinck, Tore; Murray, Jane S.; Politzer, Peter 📂 Article 📅 1993 🏛 American Chemical Society 🌐 English ⚖ 426 KB

Simultaneous prediction of aqueous solub

Simultaneous prediction of aqueous solubility and octanol/water partition coefficient based on descriptors derived from molecular structure

✍ David J. Livingstone; Martyn G. Ford; Jarmo J. Huuskonen; David W. Salt 📂 Article 📅 2001 🏛 Springer Netherlands 🌐 English ⚖ 239 KB

Prediction of aqueous solubility and the

Prediction of aqueous solubility and the octanol-water partition coefficient for lipophilic organic compounds using molecular descriptors and physicochemical properties

✍ M.St.J. Warne; D.W. Connell; D.W. Hawker; G. Schüürmann 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 579 KB

Prediction of the n-hexane/water and 1-o

Prediction of the n-hexane/water and 1-octanol/water partition coefficients for environmentally relevant compounds using molecular simulation

✍ Nuno M. Garrido; Ioannis G. Economou; António J. Queimada; Miguel Jorge; Eugénia 📂 Article 📅 2011 🏛 American Institute of Chemical Engineers 🌐 English ⚖ 858 KB

Predicting minimum alveolar concentratio

Predicting minimum alveolar concentration (MAC) of anesthetic agents by statistical modeling methods and theoretical descriptors derived from electrostatic potentials on molecular surface

✍ Peng Sang; Jian-Wei Zou; Ya-Li Yu; Mei-Lan Huang 📂 Article 📅 2012 🏛 Elsevier Science 🌐 English ⚖ 601 KB

QSPR modeling of bioconcentration factor

QSPR modeling of bioconcentration factor of nonionic compounds using Gaussian processes and theoretical descriptors derived from electrostatic potentials on molecular surface

✍ Sang Peng; Zou Jian-Wei; Zhou Peng; Xu Lin 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 386 KB