Cheminformatics

Screening Informatics (SIx) Core

SIx is responsible for coordination of laboratory information systems to track compounds and compound identifiers throughout each project, annotation, analysis and archiving assays and screening data. SIx is also responsible for data storage, retrieval, backup and recovery of raw data files.

In conjunction with the chemical biologist, SIx is responsible for initial collection of data regarding compound activities for efficient interaction with collaborators. The compound data returns to the chemical biologist who manages cherry picks, compound deliveries from the Chemistry Centers, and any compounds obtained by purchase.

Innovation: SIx creates and maintains networking tools as well as tools for visualization of multiplex data sets.

Roadrunner is a chemical database and web application being developed
by the NMMLSC Cheminformatics Core. Roadrunner provides online access
to the chemical properties and bioactivities of small molecules. While
still in the early stages of development, the application is available
for use. It is intended that Roadrunner will be released as an Open
Source project. Visit the Roadrunner documentation site.

For further information concerning chemoinformatics, please visit the groups own site: datascience.unm.edu.

 

University of New Mexico flow cytometry research center