Transformations and Mixture Processing.
Data processing for combichem.
Data processing and analysis of mixtures focused on product
libraries, rather than experimental descriptions.
Collection of experimental methods ad hoc?
Unification of reaction-, product- and markush-representations
of mixtures is necessary.
Languages for expressing mixtures.
VCL - Virtual Chemistry Laboratory.
Simple formal language. Model is a 'real-world' lab.
MTZ - Set-oriented language. Useful for
expressing combinatorial experiments.
Expressiveness - How detailed?
"Uniqueness" - equivalence, superset, subset relationships.
Searching - What searches, when to enumerate.