NIH Molecular Libraries
NIH Molecular Libraries Lab Assistant BioFocus® DPI, a Galapagos company

The MLSMR project requires extensive data tracking. BioFocus® DPI, a Galapagos company, created ComIT (Compound Inventory Tracking), an Oracle based application, to track, manage, and report all sample operations from ordering from our suppliers through shipment to the screening centers.

ComIT, a customization of CambridgeSoft's Inventory Enterprise application, coordinates what physically happens in the repository and communicates it to users inside and outside BioFocus DPI. Repository workers access ComIT by a standard web browser interface and use the application to automatically guide and record their work.

ComIT monitors the inventory of each compound so that depleted samples can be re-supplied or re-synthesized.

MLSMR deposits the structures of compounds accepted into the repository into PubChem, NCBI's database of small organic molecules and their biological activity. The MLSCN screening centers will link to these substances when depositing their HTS data with PubChem.