MUG '00 -- 14th Daylight User Group Meeting -- 22-25 Feb 2000
Algebraic Chemistry and the Artificial Chemist
The underlying idea is to make most use out of the reaction toolkit. A
reaction is regarded as vectors of starting materials and vectors of
reactions. What can we do with it?
that's what we would like from an "artificial chemist".
- find new reactions
- find alternative or side products
- assign ms and nmr spectra
- diversity design
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