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Curr Opin Chem Biol. 2001 Aug;5(4):389-95.

Visual and computational analysis of structure--activity relationships in high-throughput screening data.

Author information

1
Novartis Horsham Research Centre, Novartis Pharmaceuticals UK Ltd., Wimblehurst Road, Horsham, West Sussex RH12 5AB, UK. peter.gedeck@pharma.novartis.com

Abstract

Novel analytic methods are required to assimilate the large volumes of structural and bioassay data generated by combinatorial chemistry and high-throughput screening programmes in the pharmaceutical and agrochemical industries. Recent work in visualisation and data mining has been used to develop structure--activity relationships from such chemical-biological datasets.

PMID:
11470601
[Indexed for MEDLINE]
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