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The Prediction of Soil Sorption Coefficients of Heterocyclic Nitrogen Compounds by Octanol/Water Partition Coefficient, Water Solubility, and by Molecular Connectivity Indices

✍ Scribed by Y.-Y. Liao; Z.-T. Wang; J.-W. Chen; S.-K. Han; L.-S. Wang; G.-Y. Lu; T.-N. Zhao

Publisher: Springer
Year: 1996
Tongue: English
Weight: 73 KB
Volume: 56
Category: Article
ISSN: 0007-4861
DOI: 10.1007/s001289900104

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## 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 _