Core 3 - Informatics
The Informatics Core provides informatics capabilities needed for the HTS operations including tracking compounds and assay protocols, raw data capture, calculations of results, quality control of data, data sharing, and data upload to PubChem. Core 3 performs structural analysis of the initial hits to identify privileged scaffolds and pharmacophores to assist in assembling focused subsets and for searching analogs of initial hits for further evaluations in secondary and/or confirmatory assays. The team is co-directed by Dr. Sam Ananthan and Ms. Lucile White. Dr. Ananthan is the Manager of the Computational Chemistry & CNS Discovery Chemistry groups in the Drug Discovery Division and was the core leader during the MLSCN phase. Ms. White, the Manager of the Southern Resesarch High Throughput Screening Center which includes the HTS informatics team, leads the HTS Center and has performed successfully in this role under Southern Research's MLSCN grant. Ms. Melinda Sosa is the database administrator and CARS manager in the HTS center. Both Ms. White and Ms. Sosa have been active participants in the Molecular Libraries Network serving as chairs of the Assay/HTS and Informatics working groups.
