The Analytical Chemistry Springboard
Chemometrics and Related Areas
||The exact definition of Chemometrics has been a matter of debate for some time, however, the ICS conference chair 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.
- ADE-4 Data Analysis Package
ADE (Analysis of Environmental Data) is a multivariate analysis package for environmental data on the Macintosh. A series of multivariate techniques permits to analyze several types of data (e.g., quantitative, qualitative, presence/absence).
- Bristol Chemometrics
University of Bristol, UK.
- CAMO AS
CAMO is a company specializing in software for multivariate analysis. The main product, The Unscrambler, provides a user-friendly and high quality tool for multivariate modeling, prediction, classification, and experimental design.
- Center for Intelligent Chemical Instrumentation (CICI)
The focus of research at CICI is the combination of computational and instrumental methods in the development of a new generation of "intelligent" chemical instrumentation.
A database covering approximately 900 papers and includes abstracts. Compiled by Rasmus Bro.
In "The Virtual Classroom Project", James Hardy has created an archive of the many multimedia tools that he has developed for teaching chemistry. This is the chemometric part of the project. You'll find a large set of slides in GIF format (it may take some time to download each slide) on topics like "Introduction to chemometrics", "Basic statistics", "Experimental design and optimization", "Simple Modeling", "Signal detection and manipulation", "Calibration", etc.
- Chemometrics at Aberystwyth
This departmental home page contains some short tutorial texts on multivariate exploratory data analysis, and supervised and unsupervised learning, in particular in connection with the group's research on pyrolysis mass spectrometry.
- Chemometrics from A to Z
This site (under construction) is a word-by-word glossary of terms relevant in chemometrics.
- Chemometrics in Analytical Chemistry
University of Nijmegen, The Netherlands.
- Chemometrics Workgroup
School Of Applied Sciences, University of Wolverhampton.
- Computer Aided Chemistry and Biotechnology Software for Silicon Graphics
Listing of commercial chemistry software for SGI computers. Includes chemometric programs.
- The Data Mine
Lots of links and software for squeezing even more information from your data.
- De Montfort University Training Courses
A programme in Industrial Data Modelling, which, depending where you are coming from, is chemometrics, technometrics or biometrics.
- DTI Neurocomputing Web
Provides a comprehensive range of on-line, hypermedia services and resources for the industry to exploit Neural Computing technology.
- Gateway to the World
This page is your gateway to the neural network and neuro-science World Wide Web (WWW) servers maintained at various sites around the world.
- The ICS Symbol and Definition of Chemometrics
Here's where to grab a the officially sanctioned graphic for your chemometric homepage!
Administrative page for International Chemometrics Society listserver.
The first International Chemometrics InterNet Conference.
- INCINC94: International Chemometrics Internet Conference
Administrative page for the listserver. You can join this group at this URL, or by sending the message "sub INCINC94 your name" to firstname.lastname@example.org.
Infometrix develops software products in the field of Chemometrics, employing pattern recognition and modeling techniques for the analysis of multivariate data sets in chemistry and biotechnology.
- Introduction to Factor Analysis
A web crash course by Charles E. Reese and C. H. Lochmüller, Duke University.
- Journal of Chemometrics
- Jurs Group Home Page
"We are developing and using interactive, computer-assisted methods for investigating relationships linking molecular structures of organic compounds with their physicochemical properties or biological activities. Physicochemical properties studied include boiling points, aqueous solubility, chromatographic retention, C-13 NMR chemical shifts. Biological activities include pharmaceutical activity (drug potency), chemical and genetic toxicity, and odor." The home page contains a link to their publications list with abstracts of works in press or in review.
- Knowledge Discovery and Data Mining Resources
This site provides information on new techniques and tools that can intelligently and automatically assist us in transforming data into useful knowledge.
The Laboratory for Analytical Chemistry at Nijmegen University, The Netherlands, maintains an extensive list of chemometrics related material.
- Mathworks WWW Page
The Mathworks, Inc., is the producer and publisher of Matlab. Their WWW Page contains much information related to Matlab, answers to frequently asked questions, and contributed software. Click HERE if you want to go directly to the toolboxes.
- MatLab Algorithms
Contains algorithms for Three-way Procedures and Multiway PLS.
- Minimum Message Length Encoding
Theory and software (the Snob program) that uses the title technique for inductive inference through unsupervised clustering of multivariate data.
- The Minitab Multivariate Macro Library
Contains Minitab macros to perform various multivariate Analyses.
- MultiSimplex AB
MultiSimplex is a company specializing in software and solutions for optimization of analytical instruments, products, and processes.
- Network Science
A new web journal of science & computers. Future thematic issues (as of Dec '95) will contain QSAR (Quantitative Structure Activity Relationships) and Drug Metabolism (ADME, Absorption, Distribution, Metabolism and Excretion).
- Neural Networks Archive
Web-published papers dealing with neural networks.
- Process Control and Design
A description of projects at Electrical Engineering, and Control & Dynamical Systems, Caltech.
- Scientific Data Format Information FAQ
This FAQ is (mostly) devoted to answering only one question: "Where can I find documentation and software for [X] data format?"
- Scientific Data Visualization
Scientific Visualization is a new and emerging area that is having an impact on how computers are used in research. Scientific Visualization is concerned with techniques that allow scientist and engineers to extract knowledge from the results of simulations and computations.
5th Scandinavian Symposium on Chemometrics, August 17-21, 1997, Lahti, Finland.
- StatLib Multivariate Archive
Contains routines for classification and multivariate analyis.
- Umetri AB
A company based on knowledge developed at the chemometric research group of Umea University, Sweden.
- Umeå University - Research Group for Chemometrics
- Use Of ToolBook For Teaching Chemometrics
A paper on the title subject by Richard Brereton, School of Chemistry, University of Bristol. Available in ZIPed .DOC format. Requires PKUNZIP or the equivalent and Word for Windows or WordVu for viewing.
- The Web Page Chemometrics Textbook
This link leads to a web textbook of chemometrics implemented with frames. It is presently available only in Portugese, but an English version is in the works.
- WEEANN 95
Workshop on Environmental and Energy Applications of Neural Networks.
- WWW Virtual Library: Chemical Engineering
A range of chemical engineering related materials maintained at the University of Florida.
- WWW Virtual Library: Control Engineering
A listing of control conferences, an Eletter archive, and a comprehensive list of internet resources on control. One-stop shopping. It is maintained by the control group at the University of Cambridge.
Welcome visitor since 1996-03-08.
Last modified Tue May 25 11:33:49 2004 by email@example.com - Data is 13428 bytes
Knut Irgum, Analytical Chemistry, Umeå University, S-901 87 Umeå, Sweden.
© Copyright, Knut Irgum, 1995-2004. All rights reserved.