Tuesday, March 01, 2005


Seeing chemical Daylight and GAs

Daylight Chemical Information Systems of Mission Viejo, CA has a sophisticated toolkit for simulating and storing chemicals. According to the company web page
The Daylight Toolkit enables companies to build applications to add a broad range of cheminformatics capabilities to their environment. These tools empower our customers to easily assemble customized systems which give them total control over corporate chemistry.

Although the basic Toolkit does not apparently contain genetic algorithms, a search of the web site reveals a number of user group papers using GAs (type "genetic algorithms" into the search box). An article on www.nature.com (subscription required) discusses use of Daylight and GAs to infer molecule structure from empirical data.

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