Statistical deconvoluting of mixtures

Statistical classification of activities of molecules is a computer implemented methodology of QSAR employing visualization of molecular features and statistical techniques for correlating features of molecules with their observed biological properties. Each molecule is described by noting the prese...

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Bibliographic Details
Main Authors YOUNG SIDNEY STANLEY, FARMEN MARK W, RUSINKO ANDREW, III, LAMBERT CHRISTOPHE GERARD
Format Patent
LanguageEnglish
Published 27.03.2003
Edition7
Subjects
APPARATUS THEREFOR
CALCULATING
CHEMISTRY
COMBINATORIAL CHEMISTRY
COMPUTING
COUNTING
ELECTRIC DIGITAL DATA PROCESSING
GENERAL METHODS OF ORGANIC CHEMISTRY
INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS
LIBRARIES, e.g. CHEMICAL LIBRARIES, IN SILICOLIBRARIES
METALLURGY
ORGANIC CHEMISTRY
PHYSICS
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Summary:Statistical classification of activities of molecules is a computer implemented methodology of QSAR employing visualization of molecular features and statistical techniques for correlating features of molecules with their observed biological properties. Each molecule is described by noting the presence (1) or absence (0) of a feature of interest. The identification of specific features coded by 1's or 0's is accomplished by recursive partitioning. The data sets are planned or unplanned. The method is also applicable to classification of individuals in biological populations on the basis of their genetic makeup.
Bibliography:Application Number: US20020215766