Application of chemoinformatics to high-throughput screening: practical considerations.
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-throughput-screening datasets will be made to highlight this point.
Parker
Christian N
CN
Novartis Institute for BioMedical Research, Cambridge, Massachusetts, USA.
Schreyer
Suzanne K
SK
D055598:Chemical Phenomena; D002621:Chemistry; D007255:Information Services; D009316:National Institutes of Health (U.S.); D014481:United States