Roadrunner
The New Mexico Molecular Libraries Screening Center Chemical Database Application

Welcome to Roadrunner @ NMMLSC

This Application is for the use of New Mexico Molecular Libraries Screening Center members only. A public Roadrunner demo is available here.

Roadrunner is a chemical database application developed and supported by the Informatics Core of the New Mexico Molecular Libraries Screening Center at the University of New Mexico Health Sciences Center. The Roadrunner Project home page is here.

The Roadrunner NMMLSC database currently contains 230988 substances representing approximately 223166 unique compounds. This represents the NIH Molecular Libraries Small Molecule Repository (MLSMR) DPI as downloaded from PubChem in January 2008. The screening sets currently (and previously) being screened by the NMMLSC are represented by the various DPI libraries in the following table:
Library Substances Unique
Compounds
MLSMR 230986 223166
DPI-144k 138773 138303
DPI-230k 217524 216551
DPI-2007Q3 54589 54537
DPI-2007Q4 24162 24066

NewA prototype system for automated post-HTS analysis has been implemented. Try it out and please provide feedback!
NewSubstructure searching with SMARTS!

Please Login to begin using the Roadrunner application.
Roadrunner is powered by: Apache Webserver PHP PostgreSQL Powered gNova CHORD OpenEye ChemAxon Mesa Analytics ALOGPS
Creative Commons License   Please send questions and comments about Roadrunner development to Steve Mathias.   For help with this installation contact Steve Mathias