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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Bibliographische Detailangaben
Hauptverfasser:	YOUNG SIDNEY STANLEY, FARMEN MARK W, RUSINKO ANDREW, III, LAMBERT CHRISTOPHE GERARD
Format:	Patent
Sprache:	eng
Schlagworte:	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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Beschreibung
Zusammenfassung:	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.