Application of Chemoinformatics to High-Throughput Screening
- Christian N. ParkerAffiliated withNovartis Institute for BioMedical Research
- , Suzanne K. SchreyerAffiliated withChemical Computing Group Inc.
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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 WordsHigh-throughput screening chemoinformatics NCI dataset
- Application of Chemoinformatics to High-Throughput Screening
- Book Title
- Book Subtitle
- Concepts, Methods, and Tools for Drug Discovery
- pp 85-110
- Print ISBN
- Online ISBN
- Series Title
- Methods in Molecular Biology™
- Series Volume
- Series ISSN
- Humana Press
- Copyright Holder
- Humana Press Inc.
- Additional Links
- High-throughput screening
- NCI dataset
- Industry Sectors
- eBook Packages
- Jürgen Bajorath (1) (2)
- Editor Affiliations
- 1. Albany Molecular Research Inc., Bothell Research Center
- 2. University of Washington
- Author Affiliations
- 3. Novartis Institute for BioMedical Research, Cambridge, Massachusetts, USA
- 4. Chemical Computing Group Inc., Montreal, Quebec, Canada
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