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Chemometrics
 
  • PLS_Toolbox Version 3.5 - Advanced chemometrics  pop
    The PLS_Toolbox Version 3.5 is a collection of advanced chemometric routines, i.e., tools designed specifically for modeling data from chemical systems. Originally named for the partial least squares (PLS) routines that have become a mainstay for calibration model development, the PLS_Toolbox now contains over 300 functions that can be used in a variety of technical areas. This includes linear and nonlinear modeling tools, along with functions that help the user apply them in the chemical laboratory or process environment.
    http://software.eigenvector.com/toolbox/3_5/index.html
    Read 7 Reviews
    (Added: Apr 07, 2000 Hits: 1557 Rating: 0.00 Votes: 0)   Rate It   Review It
  • Water and Steam, Thermophysical Properties for MATLAB - Functions for calculating thermodynamic properties using IAPWs equations  pop
    Water and Steam, Thermophysical Properties for MATLAB is a suite of functions used to calculate thermodynamic properties according to the IAPWS Industrial Formulation 1997 for the Thermodynamic Properties of Water and Steam, with transport properties calculated using the recent IAPWS equations. This function suite is designed to carry out engineering design calculations in the MATLAB environment for processes and equipment that use water or steam or where water vapour is present, such as wet air compression and HVAC (heating, ventilating, and air conditioning). Functions may also be incorporated into Simulink simulations to support dynamic simulation of process plant with rigorous properties for water and steam.
    http://www.mathworks.com/products/connections/product_main.shtml?prod_id=254
    Read 7 Reviews
    (Added: Apr 07, 2000 Hits: 867 Rating: 0.00 Votes: 0)   Rate It   Review It
  • Multivariate Curve Resolution  pop
    Definition: Group of techniques which intend the recovery of response profiles (spectra, pH profiles, time profiles, elution profiles,....) of the components in an unresolved mixture obtained in evolutionary processes when no prior information is available about the nature and composition of these mixtures. This site contains several m-files and a tutorial for using them.
    http://www.ub.es/gesq/mcr/mcr.htm
    Read 4 Reviews
    (Added: Jul 03, 1999 Hits: 687 Rating: 0.00 Votes: 0)   Rate It   Review It
  • Chemistry Toy Box
    We present a simple chemical algebra, implemented with some of the object-oriented features of MATLAB-5. The main idea is to use the Periodic Table of the Elements to construct atoms from fermions (protons, electrons, and neutrons), and then to combine those atoms into compounds. Several MATLAB operators are overloaded, in order to explore algebraic notation in elementary chemistry.
    http://woodshole.er.usgs.gov/staffpages/cdenham/public_html/matlab/chem.html
    Read 3 Reviews
    (Added: Nov 23, 1999 Hits: 512 Rating: 0.00 Votes: 0)   Rate It   Review It
  • N-way Toolbox
    The N-way Toolbox holds most of the tools for analysis of multi-way data. Algorithms for PARAFAC, TUCKER and PLS models and utilities for consistency and core rotation. Also included is a set of utilities for plotting a.s.o. The algorithms are true N-way algorithms (unlimited N), however, using the rows-by-columns handling and storing of data for MATLAB 4.2 compatibility. Two advanced Internet courses in multi-way data analysis, making use of this toolbox, are available at http://www.models.kvl.dk/courses/ .
    http://www.models.kvl.dk/source/
    Read 5 Reviews
    (Added: Jun 30, 1999 Hits: 501 Rating: 0.00 Votes: 0)   Rate It   Review It
  • JOELib
    JOELib can be used for descriptor calculation, loading chemical structures and JCAMP-DX spectra files. Through the MATLAB-Java interface these data sets can be easily loaded under MATLAB. Examples are given in the JOELibToolbox.
    http://www-ra.informatik.uni-tuebingen.de/software/joelib/index.html
    Read 2 Reviews
    (Added: Nov 11, 2002 Hits: 500 Rating: 0.00 Votes: 0)   Rate It   Review It

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