INFORMATICS CORE The Informatics Core will work closely with the leadership of the Administrative and Chemistry Cores and will consist of two integrated components. The first component supports tracking of compounds, assays, and screening data submitted to the Specialized Chemistry Center from Screening and Comprehensive Centers as well as compound and ADME/DMPK data generated at Vanderbilt. It also provides infrastructure and support for data storage, retrieval, backup, and recovery of data. The second component provides support for similarity searches, cheminformatics, structure-guided probe design to optimize SAR and in silico DMPK/ADME resources to our proposed Vanderbilt Specialized Chemistry Center. The following specific AIMs summarize the major functions of the Informatics Core:
AIM 1. To employ commercial and in-house developed software tools to support the tracking and archiving of compounds, assays and screening data.
AIM 2. To employ commercial and in-house developed software tools to support similarity searches, cheminformatics, structure-guided probe design to optimize SAR and in silico DMPK/ADME predictions.
AIM 3. To collaborate with the Chemistry Core for the overlapping responsibility of compound registration and compound management.

Agency
National Institute of Health (NIH)
Institute
National Institute of Mental Health (NIMH)
Type
Specialized Center--Cooperative Agreements (U54)
Project #
5U54MH084659-05
Application #
8379442
Study Section
Special Emphasis Panel (ZRG1-IFCN-K)
Project Start
Project End
Budget Start
2012-06-01
Budget End
2013-05-31
Support Year
5
Fiscal Year
2012
Total Cost
$303,457
Indirect Cost
$98,446
Name
Vanderbilt University Medical Center
Department
Type
DUNS #
004413456
City
Nashville
State
TN
Country
United States
Zip Code
37212
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