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Dendral and Congen
Package: areas/reasonng/chem/congen/
http://www.cs.cmu.edu/afs/cs/project/ai-repository/ai/areas/reasonng/chem/congen/0.html
Developed in 1980, The DENDRAL Project dealt with analysis of molecular structure in organic chemist ry. The chemical and physical properties of compounds are determined not just by their constituent a toms, but by the arrangement of these atoms as well. The CONGEN program implements the general (acyc lic and cyclic) generation algorithm in a system that allows a chemist to constrain its enumeration in a variety of ways.
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cmu.edu - rank der domain 6080 (2241 in US)
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