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Volumn 26, Issue 5, 2007, Pages 629-646

QSPR of n-octanol/water partition coefficient of nonionic organic compounds using Extended Topochemical Atom (ETA) indices

(3) Roy, Kunal a Sanyal, Indrani a Ghosh, Gopinath a

a JADAVPUR UNIVERSITY (India)

Author keywords

ETA; Partition coefficient; QSAR; QSPR; QSTR; Topological index

Indexed keywords

ALCOHOLS; COMPUTATIONAL CHEMISTRY; HYDROGEN BONDS; INDICATORS (CHEMICAL); INDUSTRIAL CHEMICALS; MOLECULAR GRAPHICS; MULTIPLE LINEAR REGRESSION; PRINCIPAL COMPONENT ANALYSIS; STATISTICAL MECHANICS; STATISTICAL TESTS; TOPOLOGY;

EXTENDED TOPOCHEMICAL ATOM; N-OCTANOL; NONIONIC ORGANIC COMPOUNDS; OCTANOL-WATER PARTITION COEFFICIENT; PARTITION COEFFICIENT; QSAR; QSPR; QSTR; TOPOCHEMICAL; TOPOLOGICAL INDEX;

LEAST SQUARES APPROXIMATIONS;

HALIDE; OCTANOL; ORGANIC COMPOUND; WATER;

ARTICLE; ATOM; CHEMICAL STRUCTURE; HYDROGEN BOND; MATHEMATICAL MODEL; PARTIAL LEAST SQUARES REGRESSION; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE PROPERTY RELATION;

EID: 34250640145 PISSN: 1611020X EISSN: 16110218 Source Type: Journal
DOI: 10.1002/qsar.200610112 Document Type: Article

Times cited : (23)

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