Tools for tracking the information associated with combinatorial libraries and parallel medicinal chemistry syntheses.
http://www.mdli.com/products/afferent.html
A program based on a mathematical representation of organic synthesis that generates all products of a synthesis on an input of organic compounds.
http://www.aocr.ch/index.html
This article, published in CHEMTECH in 1998, is a nice introduction to the field of Computer-Assisted Organic Synthesis.
http://pubs.acs.org/hotartcl/chemtech/98/sep/buil.html
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 ...
http://www.cachesoftware.com/
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 de...
http://www.expereact.com
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. A...
http://lhasa.harvard.edu/
Free software for computer-assisted organic synthesis, intended mainly for use in education. Applet-based. Source code available.
http://ivan.tubert.org/caos/
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 ...
http://syngen2.chem.brandeis.edu/syngen.html
Software for reaction prediction, synthesis design, classification of organic reactions, chemical information, calculation of 3D coordinates, and calculation of physicochemical par...
http://www2.chemie.uni-erlangen.de/software/index.html
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