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LabAutomation 2006 - SLAS

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Where Laboratory Technologies Emerge and Merge<br />

11:00 am Monday, January 23, <strong>2006</strong> Track 4: Informatics Room: Madera<br />

Wyndham Palm Springs Hotel<br />

Dietrich Ruehlmann<br />

BD Biosciences<br />

Rockville, Maryland<br />

dietrich_ruehlmann@bd.com<br />

Informatics – The Last Bottleneck in High Content Screening?<br />

High content imaging is on its way to become a mature technology in assay development, screening and toxicology laboratories. With<br />

the emergence of robust optical hardware, reliable fluorescent probes and automation to support hands-off operation, the bottleneck has<br />

largely moved to image and data handling and analysis. This presentation will review different approaches and technologies that harness<br />

the onslaught of datapoints and derive pharmacological meaningful information.<br />

11:30 am Monday, January 23, <strong>2006</strong> Track 4: Informatics Room: Madera<br />

Wyndham Palm Springs Hotel<br />

Michael Hudock<br />

Co-Author<br />

University of Illinois<br />

Eric Oldfield<br />

Urbana, Illinois<br />

hudock@uiuc.edu<br />

University of Illinois at Urbana-Champaign<br />

Developing Chemistry Informatics Applications for Academic Research<br />

Academic research laboratories are often in the unique situation where the amount of chemical and biological data being collected is<br />

difficult to organize and manage, but it does not require industrial-scale informatics applications to do so. We have developed a flexible,<br />

low-cost, custom, web-browser-based chemistry informatics application using both open-source platforms and commercial tools<br />

(ChemAxon JChem and Marvin) when necessary to enhance functionality. The system was developed using a standard three-tiered<br />

architecture consisting of a MySQL backend database, a PHP and JSP processing layer, and web browser client. The data processing<br />

layer consists of three separate modules for handling structural data, screening results, and statistical reports, all of which can be easily<br />

adapted to satisfy evolving demands. The resulting application provides a common environment for our computational chemistry and drug<br />

design teams to analyze structural, screening, and statistical data within our laboratory. Portions of this design scheme could readily be<br />

adapted to meet the demands of other academic and small-scale industrial laboratories.<br />

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