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Chemometrie [Chemometrik]


 
Chemometrie

Chemometrie ist eine wissenschaftliche Teildisziplin, welche mathematische und statistische Methoden auf chemische Fragestellungen anwendet, um chemische Verfahren und Experimente optimal planen entwickeln, auswählen und auszuwerten zu können, so dass ein Maximum an Informationen aus experimentellen Messdaten gewonnen werden.

Online verfügbare Informationsquellen zur Chemometrie.

Weitere Informationen zum Thema und ähnliche Themengebiete sowie Informationsquellen in englischer Sprache finden Sie im Menüfeld am linken Bildrand.



[Skript] [Daten] [Soft] [Jour] [Diss] [Institute] [Org]

Vorlesungsskripten und Vorlesungsmaterialien


Chemometrie
Sammlung verschiedener Vorlesungsmaterialien zur Chemometrie in der analytischen Chemie. ETH Zürich - [CH > d]

Chemometrie und Qualitätssicherung
Vorlesungsmaterialien. TU Graz - [A > d]

Chemometrie/Kalibrierung
Grundlagen der Spektroskopie aus chemometrischer Sicht. Zeiss - [D > d]

Chemometrische Verfahren in der Analytischen Chemie
Einblicke in die Multivariate Statistik und die möglichen Anwendungen in der Analytischen Chemie. Universität Wien - [A > d]

Diskrimanzanalyse, SIMCA
Vorlesungsmaterialien: Einführung in die Chemometrie. Quira - Format: PDF - [D > d]

Faktoranalyse
Vorlesungsmaterialien: Einführung in die Chemometrie. Quira - Format: PDF - [D > d]

Klassische Verfahren
Vorlesungsmaterialien: Einführung in die Chemometrie. Quira - Format: PDF - [D > d]

Statistik für Chemiker
Ein Kochbuch, 1999 - Format: PDF - [D > d]



[Skript] [Daten] [Soft] [Jour] [Diss] [Institute] [Org]

Daten und Datenbanken


Multivariate data analysis
Public data sets for multivariate data analysis - [DK > e]

Time Series Data Library
A collection of about 800 time series drawn from many different fields - [AU > e]



[Skript] [Daten] [Soft] [Jour] [Diss] [Institute] [Org]

Software und Programme


Chemometrics for comprehensive GC/LC-MS data evaluation
Comprehensive data evaluation means that we try to squeeze out all information from our raw data - with every possible approach - [D > e]

Chemometrics Toolbox
... provides more than 40 specialized MATLAB functions for chemometric calibration. Mathworks - [USA > e]

Extract
... is designed to help visualize the structure and quantitative relationships in your data - [SE > e]

Factor Analysis Toolbox for MATLAB
... provides a family of specialized MATLAB functions for factor analysis techniques - [USA > e]

GOLPE
GOLPE (Generating Optimal Linear PLS Estimations) is the state of the art chemometric toolbox for 3D QSAR - [IT > e]

Mathtools Chemometrics
List of matlab tools - [USA > e]

Mathtools Chemometrics Excel
List of microsoft excel tools - [USA > e]

Multi-Qual
... enables you to calibrate spectrometers to perform Chemometric (multiwavelength) qualitative chemical analysis using Mahalanobis mathematics - [USA > e]

Multi-Quant
... enables you to calibrate spectrometers to perform Chemometric (multiwavelength) quantitative chemical analysis using Least Squares Multiple Regression mathematics (MLR) - [USA > e]

MultiSimplex
A powerful tool for design of experiments and optimization. Grabitech - [SE > e]

ParLeS
Executable software for chemometric analysis of spectroscopic data - [AU > e]

Pirouette
Prediction, classification, data exploration and pattern recognition methods are implemented in a single program. Infometrix - [USA > e]

Pirouette Lite
Prediction, classification, data exploration and pattern recognition methods are implemented in a single program. Infometrix - [USA > e]

PLSplus/IQ
... includes multivariate analysis tools for building quantitative calibrations as well as qualitative models for discriminant analysis. Thermo Fisher Scientific Inc. - [USA > e]

SIMCA
A state-of-the-art suite of software products for data analysis. Umetrics - [USA > e]

SIRIUS
... is a tool for multivariate analysis that covers all the central methods within multivariate exploratory analysis, classification/discrimination and calibration/response modeling. Pattern Recognition Systems, PRS - [USA > e]

SOM Toolbox
... is a function package for Matlab 5 implementing the Self-Organizing Map (SOM) algorithm and more - [FI > e]

Unscrambler
The Unscrambler is the complete Multivariate Analysis and Experimental Design software, equipped with powerful methods including PCA, Multivariate Curve Resolution (MCR), PLS regression, 3-Way PLS regression, Clustering (K-Means), SIMCA and PLS-DA Classification etc.. Camo - [NO > e]

Xtricator
... is a software product that is developed for quantitative and qualitative analysis of data from analytical instruments as HPLC-DAD, GC-IR, GC-MS , FTIR excitation-emission spectroscopy, etc.. Pattern Recognition Systems, PRS - [USA > e]



[Skript] [Daten] [Soft] [Jour] [Diss] [Institute] [Org]

Journale, Fachzeitschriften


Chemometrics & Informatics Ezine
Chemometrics & Informatics Resource. John Wiley & Sons - [USA > e]

Chemometrics and Intelligent Laboratory Systems
... publishes original research papers, short communications, reviews, tutorials and software descriptions reporting on novel developments in techniques for chemistry and related disciplines that are characterised by the application of statistical and computer methods. Elsevier - [NL > e]

Computational Statistics & Data Analysis
CSDA is an international journal dedicated to the dissemination of methodological research and applications in the areas of computational statistics and data analysis. Elsevier - [NL > e]

Journal of Chemometrics
... is devoted to the rapid publication of original scientific papers, reviews and short communications on fundamental and applied aspects of chemometrics. It also provides a forum for the exchange of information on meetings and other news relevant to the growing community of scientists who are interested in chemometrics and its applications. Wiley-Interscience - [e]

Journal of Computational Chemistry
... publishes articles concerned with all aspects of computational chemistry: analytical, biological,inorganic, organic and physical. Wiley-Interscience - [e]

Technometrics
A Journal of Statistics for the Physical, Chemical, and Engineering Sciences. Amstat - [USA > e]



[Skript] [Daten] [Soft] [Jour] [Diss] [Institute] [Org]

Dissertationen


Chemometrie in der NMR-Spektroskopie
Signalanalyse mittels neuronaler Netze. Dissertation, 2000. TU Berlin - Format: PDF - [D > d]

Die Wavelet-Analyse als chemometrisches Werkzeug: Analytische Anwendungen in der NIR-Spektrometrie
Dissertation, 1999. Universität Duisburg - [D > d]



[Skript] [Daten] [Soft] [Jour] [Diss] [Institute] [Org]

Institute und Foschungseinrichtungen


Bochum
Der Arbeitskreis Chemometrie befasst sich mit der Entwicklung und Anwendung von Methoden der Mathematik, Statistik und Informatik zur Erfassung und Auswertung von Daten chemischer Analyseverfahren. Universität Bochum - [D > d]

GDCh
Arbeitskreis Chemometrik und Labordatenverarbeitung - [D > d]



[Skript] [Daten] [Soft] [Jour] [Diss] [Institute] [Org]

Organisationen, Verbände


Danish Chemometrics Society
DSK - [DK > e]

Dutch Chemometrics Society
... is a working group within the Section Analytical Chemistry (SAC) of the Royal Dutch Chemical Society (KNVC) - [NL > e]

Norwegian Chemometrics Society
The purpose of the group is to strengthen the chemometric role in teaching, research and industry - [NO > e]

Russian Chemometrics Society
RCS - [RU > e, ru]






 


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Einträge

43

Aktualisiert

am 03.12.2008

Linkprüfung

am 18.11.2008 00:00:00

Thema:

Chemometrie [Chemometrik]

Stichworte:

Chemometrie, Chemometrik, Daten, Grundlagen, Theorie, Anwendungen, Forschung


Literatur- und Buchempfehlungen zum Thema Chemometrie:


Matthias Otto

Chemometrics.
Statistics and Computer Application in Analytical Chemistry.

This new edition contains 10 percent more worked examples as well as the addition of modern chemometric developments, such as support vector machines, wavelet transformations and multi-way analysis. With its inclusion of statistics, fuzzy theory, databases, and quality assurance, this remains the textbook with the broadest coverage, and retains such proven features as additional information provided in the margin, a glossary of terms plus an overview of suitable chemometric software.

While ideal for students of chemistry, pharmacy, biochemistry and ecology, this is equally useful for scientists in industry and research institutes.

Wiley-VCH; 2007


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