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February 18, 2006
Elsevier MDL 2006 European and UK Users' Group Meeting, London March 5-8
I'll be in London at the Park Hotel between March 5th and 8th for the Elsevier MDL 2006 European and UK Users' Group Meeting. I'm due to give a talk on Monday 6th on using MDL Cheshire for combinatorial enumeration of chemical compounds.
Cheshire is a chemical scripting language and an interactive prototyping environment for building, validating, and using "rules" that analyze and interpret chemistry. In other words, chemistry in a computer. Combinatorial enumeration is taking two or more groups of molecular fragments and joining them together in all the different possible combinations.
Easy, eh?
Posted by daen at February 18, 2006 04:47 AM