Science: Chemistry: Analytical: Software

WinQual is a massive qualitative analysis program, with over 2000 unknowns, 5 levels of difficulty, and many other options. This site offers a downloadable demo.

Commercial software including: chromatography, mass spectrometry, quality control, chemistry, inventory, modeling, and safety. Includes an index of developers.

Offers thermokinetic analysis, thermal hazards simulation, viscosity-rheology modeling, and other advanced software for use w. all major vendors' thermal analysis equipment using ASCII data.

Windows software for training in HPLC, GC, MS, GC-MS, LC-MS, IR, UV, NMR. Downloadable demos, pricing and ordering information available.

A collection of interactive computer simulations for use in Instrumental Analysis and Spectrochemical Methods courses.

Combines the functionality of a Word Processor, a LIMS-like database and the functions needed to keep a truly Legal and complete electronic lab notebook.

Information on networked data collection systems, associated measurement tools, technical specifications, tutorials and sample experiments, for university and secondary school chemistry laboratories, from manufacturer in Cincinnati, OH.

Offers drug discovery informatics software and services for data mining and analysis in cheminformatics and bioinformatics.

AKTS offer thermogravimetry, thermal analysis and solid state kinetic analysis of MS and FTIR data. Includes downloads, online sample submission and contacts in Siders, Switzerland.

Provides simulation of infrared spectra, including interface, relevant background information and a publications list, from the university at Nurnberg, Germany.

A spectral lines database for atomic emission analysis, containing about 100,000 spectral lines for 98 chemical elements, their main properties, excitation character and potential. The software provides a search tool, graphic presentation of results, multi-user interface and custom reports.

Software for the evaluation of measurement uncertainty in analytical chemistry.

Offers application-oriented and customized software for Instrumental Analysis with emphasis on: UV/Vis spectroscopy and spectra evaluation, enzymatic food analysis, dissolution analysis, quantitative single and multicomponent analysis.

"Chemist" is a program for solution chemical equilibrium calculations. "Scientist" is a general mathematical modeling application for models consisting of analytic and/or differential equations.

Data processing for Spectroscopy, Spectrometry and Chromatography.

Periodic Table of Ultraviolet absorbers. Locates UV absorber samples, and calculates batch mixing/coating quantities.

A program for high throughput mass spectrometric sequence determination of linear and cyclic peptides originating from split-and-pool combinatorial libraries.

DATAN is a tool to analyze chemical equilibria and to study chemical reactions.

Develops range of software, including customized solutions for data flow, access and visualization. Includes downloadable chromatogram viewer, online manuals and support from The Woodlands, Texas.