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Journal of Biomolecular Screening
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Statistical and Graphical Methods for Quality Control Determination of High-Throughput Screening Data

Bert Gunter

Biometrics Research Department, Merck Research Laboratories, Rahway, NJbert_gunter{at}merck.com

Christine Brideau

Department of Biochemistry and Molecular Biology, Merck Frosst Centre for Therapeutic Research, Kirkland, Quebec, Canada

Bill Pikounis

Andy Liaw

Biometrics Research Department, Merck Research Laboratories, Rahway, NJ

High-throughput screening (HTS) is used in modern drug discovery to screen hundreds of thousands to millions of compounds on selected protein targets. It is an industrial-scale process relying on sophisticated automation and state-of-the-art detection technologies. Quality control (QC) is an integral part of the process and is used to ensure good quality data and mini mize assay variability while maintaining assay sensitivity. The authors describe new QC methods and show numerous real examples from their biologist-friendly Stat Server® HTS application, a custom-developed software tool built from the commercially available S-PLUS® and Stat Server® statistical analysis and server software. This system remotely processes HTS data using powerful and sophisticated statistical methodology but insulates users from the technical details by outputting results in a variety of readily interpretable graphs and tables. It allows users to visualize HTS data and examine assay performance during the HTS campaign to quickly react to or avoid quality problems.

Key Words: HTS • quality control • robust fitting • trend analysis

Journal of Biomolecular Screening, Vol. 8, No. 6, 624-633 (2003)
DOI: 10.1177/1087057103258284


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