A Fuzzy ARTMAP-Based Quantitative Structure—Property Relationship (QSPR) for the Henry′s Law Constant of Organic Compounds.
نویسندگان
چکیده
منابع مشابه
A Fuzzy ARTMAP-Based Quantitative Structure-Property Relationship (QSPR) for the Henry's Law Constant of Organic Compounds
Quantitative structure-property relationships (QSPRs) for estimating a dimensionless Henry's Law constant of organic compounds at 25 degrees C were developed based on a fuzzy ARTMAP and back-propagation neural networks using a heterogeneous set of 495 organic compounds. A set of molecular descriptors developed from PM3 semiempirical MO-theory and topological descriptors (second-order molecular ...
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ژورنال
عنوان ژورنال: ChemInform
سال: 2003
ISSN: 0931-7597,1522-2667
DOI: 10.1002/chin.200316229