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

被引：41
作者：
Gedeck, P
Willett, P
机构：
[1] Novartis Pharmaceut UK Ltd, Novartis Horsham Res Ctr, Horsham RH12 5AB, W Sussex, England
[2] Univ Sheffield, Krebs Inst Biomolec Res, Sheffield S10 2TN, S Yorkshire, England
[3] Univ Sheffield, Dept Informat Studies, Sheffield S10 2TN, S Yorkshire, England
来源：
CURRENT OPINION IN CHEMICAL BIOLOGY | 2001年 / 5卷 / 04期
关键词：
D O I：
10.1016/S1367-5931(00)00219-2
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
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.
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页码：389 / 395
页数：7
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