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. 2000 Nov-Dec;40(6):1302-14.
doi: 10.1021/ci0000631.

LeadScope: software for exploring large sets of screening data

G Roberts  1 , G J Myatt, W P Johnson, K P Cross, P E Blower Jr
Affiliations

LeadScope: software for exploring large sets of screening data

G Roberts et al. J Chem Inf Comput Sci. 2000 Nov-Dec.

Abstract

Modern approaches to drug discovery have dramatically increased the speed and quantity of compounds that are made and tested for potential potency. The task of collecting, organizing, and assimilating this information is a major bottleneck in the discovery of new drugs. We have developed LeadScope a novel, interactive computer program for visualizing, browsing, and interpreting chemical and biological screening data that can assist pharmaceutical scientists in finding promising drug candidates. The software organizes the chemical data by structural features familiar to medicinal chemists. Graphs are used to summarize the data, and structural classes are highlighted that are statistically correlated with biological activity.

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