An Educational Tool for Learning Substructure Search

presentation · 9 years ago
by Yingyao Zhou (Genomics Institute of the Novartis Research Foundation)
MarvinSketch JChem Base

Substructure searches provide expected results, only if users are familiar with the structure query language. Understandably teach and practice are the best ways to improve such language skills, therefore, we developed a corresponding educational tool at GNF. Given a query structure, the tool automatically supplies example targets. Then through interactively modifying the query structure and subsequently highlighting matched structure fragments, users learn to improve the accuracy of the search. The tool can also incorporate pre-designed examples, as well as being used for sanity checking before a real database search.