See also:

• Science: Chemistry: Computational  (141)
• Science: Chemistry: Education: Multimedia  (9)
• Science: Chemistry: Software  (263)
• Science: Chemistry: Software: Educational  (27)
• Science: Chemistry: Software: Structural  (56)

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.

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.

CMBI: LHASA - - Detailed description about the inner workings of LHASA from the Centre for Molecular and Biomolecular Informatics.

Expereact : Electronic Laboratory Notebook - - Laboratory management program that includes functions for stock keeping, a laboratory notebook, and search tools for products or reactions records. User guide, screen shots, and demo available.

LHASA Group at Harvard University - - LHASA (Logic and Heuristics Applied to Synthetic Analysis) is among the first programs for retrosynthetic analysis. Also on this page, the DEREK system for toxicology prediction. Available for Silicon Graphics/Irix, and Linux.

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

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.

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