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Modelling of partition constants: linear solvation energy relationships or PLS regression?

✍ Scribed by Tao Liu; Tomas Öberg

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
251 KB
Volume
23
Category
Article
ISSN
0886-9383

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## Abstract The main aim of this study was the development of a quantitative structure–property relationship method using an artificial neural network (ANN) for predicting the water‐to‐wet butyl acetate partition coefficients of organic solutes. As a first step, a genetic algorithm‐multiple linear