Requirements for a Combinatorial Chemistry Toolkit:

Represent all combinatorial chemistry used at Pharmacopeia
Concise representation
Store tags with structures
Decode structures given a set of tags
Enumeration based on solid support


Xview based Libgrins
Simple language for structures and tags


Enumeration and Decode in Perl and C

Future Needs

Relative stereochemistry
Make labeling easier in Grins
Allow for long lists within a Depict widget frame
PC/Mac solution

Thank you

Dave Weininger
Craig James
Jeremy Yang
Jack Delany
Forrest Schull