Leadscope

LeadScope s data visualization technology makes the interpretation of complex data a routine task. Two-dimensional histograms and scatter plots provide pictorial representations of data sets that can be manipulated using interactive controls. Adjustable sliders, that dynamically reshape data sets, allow users to focus on interesting property ranges. Histograms can also be color-coded to emphasize how compound data correlates to biological activity. 

MDL Core Interface middle tier integration environment 

000 biologically relevant compounds with updates adding about 

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Hence there are multiple solutions for the final set of 10000 compounds. The final selection can be diversity driven using for example cluster analysis based on multiple fingerprints [63], hole filling strategies by using scaffold/ring analysis (LeadScope [66], SARVision [66]) or pharmacophore analysis [67, 68]. For a review of computational approaches to diversity and similarity-based selections, see the paper of Mason and Hermsmeier [69] and the references therein. 

Suite, [34]), Leadscope Inc. (Leadscope), GoldenHelix Inc. (ChemTree) and Tripos Inc. (SARNavigator). However, there are relatively few papers published in the literature dealing specifically with hit selection schemes, perhaps not surprisingly for a topic that is of immediate interest to pharmaceutical and biotechnology companies rather than academic groups [4, 35, 36]. 

Roberts G, Myatt GJ, Johnson WP, etal. (2000) LeadScope Software for exploring large sets of screening data. /. Chem. Inf Comput. Sci. 40 1302-1314. 

Leadscope. Leadscope Model Applier, 2010 http //www.leadscope.com/ (last accessed 13 September 2011). 

ToxScope Function Based Drug Design, V.N. Orekhovich Institute of Biochemical Chemistry LeadScope Inc. www.leadscope.com/products/txs.htm teratogenicity, embryotoxicity, and many other effects Carcinogenicity and many... 

Matthews, E.J., Kruhlak, N.L., Benz, R.D., Contrera, J.F. (2008). Combined use of MC4PC, MDL-QSAR, BioEpisteme, Leadscope PDM, and Derek for Windows software to achieve high-performance, high-confidence, model of action-based predictions of chemical carcinogenesis in rodents. Toxicol. Mech. Meth. 18 189-206. 

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