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 DIRECTORY/Science/Tech/Chemistry/Organic/Software (9)
i0Afferent - http://www.mdli.com/products/afferent.html - Tools for tracking the information associated with combinatorial libraries and parallel medicinal chemistry syntheses.
 
i0Automatic Organic Chemical Reactions - http://www.aocr.ch/index.html - A program based on a mathematical representation of organic synthesis that generates all products of a synthesis on an input of organic compounds.
 
i0Building the Shortest Synthesis Route - http://pubs.acs.org/hotartcl/chemtech/98/sep/buil.html - This article, published in CHEMTECH in 1998, is a nice introduction to the field of Computer-Assisted Organic Synthesis.
 
i0CAChe Group - http://www.cachesoftware.com/ - 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.
 
i0ChemNomParse Project - http://chemnomparse.sourceforge.net/ - An open source project to create an IUPAC nomenclature parser.
 
i0Organic Synthesis Exploration Tool - http://ivan.tubert.org/caos/ - Free software for computer-assisted organic synthesis, intended mainly for use in education. Applet-based. Source code available.
 
i0SynGen - http://syngen2.chem.brandeis.edu/syngen.html - 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.
 
i0Systematichem - http://www.syschem.com - Computational organic chemistry software for retrosynthesis and synthesis development.
 
i0TORVS Research Team - http://www2.chemie.uni-erlangen.de/software/index.html - 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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