Chemometrics is the application of mathematical or statistical methods to chemical data. The International Chemometrics Society (ICS) offers the following definition:
Chemometrics is the science of relating measurements made on a chemical system or process to the state of the system via application of mathematical or statistical methods.
Chemometric research spans a wide area of different methods which can be applied in chemistry. There are techniques for collecting good data (optimization of experimental parameters, design of experiments, calibration, signal processing) and for getting information from these data (statistics, pattern recognition, modeling, structure-property-relationship estimations).
More on [ Chemometrics ]
Computational :: Chemistry
Statistics :: Math
Signal Processing :: Electronics

2CY Chemometry Consultancy - Company that is specialized in the calibration of instruments, focusing on assessing the reliability of model results. Includes profile and contacts in Ede, The Netherlands.
Meta Description: [ Reliability of chemometric models. ]
Altoris, Inc. - Consultants in chemoinformatics for computer aided drug design. Areas of expertise include: design of chemical libraries for high throughput screening, structure guided drug design, molecular modeling, virtual screening, predictive toxicology, and software development.
Analytical Informatics - Resource for course in the use of machine learning, automated data analysis and data mining, run by the Chemistry Department of Purdue University, West Lafayette, Indiana.
Applied Chemometrics - Resources maintained by company in Sharon, Massachusetts.
Brown, Steven D. - Profile of chemometrician at University of Delaware, Newark.
Chemometrics - Simple slide show, with some problem questions from a class presentation in 2000, at The University of Akron, Ohio.
Chemometrics in Australia - Links to research groups and related resources, including instrumental optimization, maintained by RMIT University, Melbourne, Victoria.
Davidson, Charles E. - Personal page, with resume and PhD dessertation contents of chemometrician in Arlington, Virginia.
Eigenvector Research, Inc. - Chemometric software, short courses and consulting from Manson, Washington.
Meta Description: [ Chemometric software, short courses and consulting. ]
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Homepage of Chemometrics - Multivariate calibration, experimental design, publications database, scientific conference list and a discussion forum, and search for chemotrician addresses.
Meta Description: [ (none) ]
Infometrix, Inc. - Technical and application notes from software producer in Woodinville, Washington.
Meta Description: [ Chemometrics software for Windows. Infometrix produces the highest quality software for chemometrics and multivariate analysis. Author of Pirouette multivariate software package. ]
Introduction to Chemometrics - Report given as session in the use of statistical methods in formulating and testing, for the ACS Rubber Division in 1985.
Introduction to Signal Processing in Chemical Analysis - Web-based tutorial on this field of digital measurement, with student assignments and downloadable program from the Department of Chemistry and Biochemistry, University of Maryland.
Meta Description: [ Introduction to Signal Processing in Analytical Chemistry ]
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