- JOELib - Chemoinfomatics library
JOELib is a cheminformatics library which supports SMARTS substructure search, descriptor calculation, processing/filtering pipes, conversion of file formats, 100% pure Java, and interfaces to external programs (e.g. Ghemical) are available. It is mainly designed for algorithm development on molecular graphs but also some basic GUI elements are available.
Software for chemistry, biochemistry and laboratory management
Chemistry Tutor Software
This web site is devoted to the sale of affordable chemistry software for college and high school students. The College Chemistry Tutor CD-ROM contains over 2600 problems, along with many additional examples, for only $10.00. The Organic Chemistry Tutor CD-ROM contains over 1200 problems for the same price ($10.00). The High School Chemistry Tutor CD-ROM contains over 1700 problems for just $7.50. The site also contains a number of practice problems from each of the CD-ROMs.
Software for optimization and design of experiments
Grabitech provides optimization software both as a stand alone product and software for continuous optimization and automation in a given process.
MicroMath Research publishes data analysis and modeling software for scientists and engineers. Our products are developed for working researchers who want to focus on science, not software. Our software can model the most complicated physical systems and is simple enough for anyone with a general knowledge of mathematics and science to use
Substructure searchable chemical database software
Software for drawing chemical structures, visualize laboratory experiments, teaching, 3D visualisation of molecules and quantum chemistry.
Provides software to view and predict 3D molecular structure and properties and to analyze the relationship between structure and properties or structure and reactivity. CAChe is a tool for medicinal, polymer, process and synthetic chemists.
Data Aspects' Corp
Chemical lab: sample, test and results software.
Computational, database, communication and drawing software for chemists.
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.