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Chemoinformatics

Volume 275 of the series Methods in Molecular Biology™ pp 85-110

Application of Chemoinformatics to High-Throughput Screening

Practical Considerations
  • Christian N. ParkerAffiliated withNovartis Institute for BioMedical Research
  • , Suzanne K. SchreyerAffiliated withChemical Computing Group Inc.

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Abstract

The objective of this chapter is to summarize and evaluate some of the most common chemoinformatic methods that are applied to the analysis of high-throughput-screening data. The chapter will briefly describe current high-throughput-screening practices and will stress how the major constraint on the application of chemoinformatics is often the quality of high-throughput-screening data. Discussion of the NCI dataset and how it differs from most high-throughputscreening datasets will be made to highlight this point.

Key Words

High-throughput screening chemoinformatics NCI dataset