Beschreibung:
Das umfangreichste Lehrbuch der Chemometrie: Sowohl als Einführung und aktuelles Referenzwerk deckt es alle relevanten Themenbereiche ab, von Grundlagen der Statistik über Modellierung und Datenbanken bis hin zu den neuesten regulatorischen Fragen.
What is Chemometrics?Basic StatisticsSignal Processing and Time-Series AnalysisAsymmetric Least Squares Smoothing Correction (AsLS)Peak alignment methodsOptimization and Experimental DesignSupersaturated designPattern Recognition and ClassificationConfusion matrixTree based clustering/classificationModelingOrthogonal signal correctionIndependent Component Analysis (ICA)Robust methodsOrthogonal Partial Least Squares (OPLS)Multivariate Curve Resolution (MCR)Re-sampling techniques (bootstrapping /jackknifing)Bagging/BoostingAnalytical DatabasesNew data exchange formats: Netcdf, mzXML, etc.Molecular structure generation/elucidationMolecular descriptors and QSAR/QSPR examplesKnowledge Processing and Soft ComputingAnt colony algorithmDynamic neural networks?Quality Assurance and Good Laboratory PracticeUpdate of directivesAppendixSoftware updateExtend table III