Roadrunner is a chemical database application developed and supported by the Division of Biocomputing and the Center for Molecular Discovery at the University of New Mexico Health Sciences Center. The Roadrunner Project home page is here.

This site is maintained for testing and demonstration purposes. Please feel free to create and account, have a look around and please provide feedback as we continue to develop and add new functionality.

The Roadrunner Demo database contains 327392 substances representing approximately 316140 unique compounds. This represents the NIH Molecular Libraries Small Molecule Repository (MLSMR) DPI as downloaded from PubChem in February 2009. These are the compounds being screened as part of NIH's Molecular Libraries Roadmap. The database also houses all PubChem BioAssay Descriptions and Data associated with the MLSMR substances (also as of February 2009).

A prototype system for automated post-HTS analysis has been implemented. Try it out and please provide feedback!

Substructure searching with SMARTS

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