✦ LIBER ✦

Prediction of n-Octanol/Water Partition Coefficients from PHYSPROP Database Using Artificial Neural Networks and E-State Indices

✍ Scribed by Tetko, I.V.; Tanchuk, V.Yu.; Villa, A.E.P.

Book ID: 121360937
Publisher: American Chemical Society
Year: 2001
Tongue: English
Weight: 108 KB
Volume: 41
Category: Article
ISSN: 0095-2338
DOI: 10.1021/ci010368v

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Prediction of the n-Octanol/Water Partit

Prediction of the n-Octanol/Water Partition Coefficient, logP, Using a Combination of Semiempirical MO-Calculations and a Neural Network

✍ Andreas Breindl; Bernd Beck; Timothy Clark; Robert C. Glen 📂 Article 📅 1997 🏛 Springer-Verlag 🌐 English ⚖ 460 KB

Prediction of octanol–water partition co

Prediction of octanol–water partition coefficients of organic compounds by multiple linear regression, partial least squares, and artificial neural network

✍ Hassan Golmohammadi 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 206 KB 👁 1 views

## Abstract A quantitative structure–property relationship (QSPR) study was performed to develop models those relate the structure of 141 organic compounds to their octanol–water partition coefficients (log __P__~o/w~). A genetic algorithm was applied as a variable selection tool. Modeling of log _