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Science: Chemistry: Computational (127)
Science: Chemistry: Education: Multimedia (7)
Science: Chemistry: Software (231)
Science: Chemistry: Software: Educational (23)
Science: Chemistry: Software: Structural (52)

http://www.mdli.com/products/afferent.html

» Afferent - Tools for tracking the information associated with combinatorial libraries and parallel medicinal chemistry syntheses.

» Automatic Organic Chemical Reactions - A program based on a mathematical representation of organic synthesis that generates all products of a synthesis on an input of organic compounds.

http://pubs.acs.org/hotartcl/chemtech/98/sep/buil.html

» Building the Shortest Synthesis Route - This article, published in CHEMTECH in 1998, is a nice introduction to the field of Computer-Assisted Organic Synthesis.

» CAChe Group - 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.

» ChemNomParse Project - An open source project to create an IUPAC nomenclature parser.

» Organic Synthesis Exploration Tool - Free software for computer-assisted organic synthesis, intended mainly for use in education. Applet-based. Source code available.

http://syngen2.chem.brandeis.edu/syngen.html

» SynGen - A program for automatic synthesis generation which focuses on the shortest, most economical routes. Uses a generalized model of organic reactions and functionality to simplify the problem space. Macintosh beta version available for download.

» Systematichem - Computational organic chemistry software for retrosynthesis and synthesis development.

http://www2.chemie.uni-erlangen.de/software/index.html

» TORVS Research Team - Software for reaction prediction, synthesis design, classification of organic reactions, chemical information, calculation of 3D coordinates, and calculation of physicochemical parameters.

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