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Artificial neural network and fragmental approach in prediction of physicochemical properties of organic compounds

โœ Scribed by N. V. Artemenko; I. I. Baskin; V. A. Palyulin; N. S. Zefirov


Book ID
110420397
Publisher
Springer
Year
2003
Tongue
English
Weight
296 KB
Volume
52
Category
Article
ISSN
1573-9171

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