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SEURAT Structure Exploration Utility for RAtional Therapeutics ChemAxon US UGM– September 2009.

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Presentation on theme: "SEURAT Structure Exploration Utility for RAtional Therapeutics ChemAxon US UGM– September 2009."— Presentation transcript:

1 SEURAT Structure Exploration Utility for RAtional Therapeutics ChemAxon US UGM– September 2009

2 What is SEURAT? Product Overview SEU RaT S tructure E xploration U tility for Ra tional T herapeutics Rich Internet Application (RIA) Optimized specifically for small molecule screening, hit-to-lead and lead optimization Extract full discovery value from in-house and in-licensed DBs and tools Directly access existing corporate, 3 rd party, patent and lit DBs & meta-information. Open System: Incorporate 3 rd & in-house computational tools easily. Perform & track SAR analyses. Visual Data Mining: Create & track hypotheses. Easy for bench scientists to use. 24 June 2009

3 What is SEURAT? Who is it for, what problem does it solve? chemists, biologists and preclinical scientists who struggle daily to extract full discovery value from a broad mixture of in-house and in-licensed data sources and tools. SEURAT is a drug discovery Rich Internet Application that delivers flexible knowledge capture, access, reporting and collaboration without creating a new data silo, database or data container. Unlike general purpose data workflow and pipelining platforms SEURAT is optimized specifically for small molecule screening, hit-to-lead and lead optimization. 3

4 A problem SEURAT can help solve? Elevating a Hit to a Lead Credit: Yvonne Martin And Derek Debe

5 A problem SEURAT can help solve? Project must initiate & track… requests for additional testing 30,000 pieces of database information on the hits 240 individual database searches to compose, execute, evaluate and track, 60 compounds to order, track, register, and submit for testing 30,000 molecular properties to calculate or look up A few clustering runs 40 computational toxicity predictions made 10 different computer programs used Credit: Yvonne Martin And Derek Debe

6 Historically diverse set of tools Few in project master the whole set 6 4 June 2009

7 SEURAT : A Single Integrated RIA More of the project team can master 74 June 2009

8 SEURAT Proven Product with Clear ROI Compressed Time between Data Collection, Decision, & Reporting Seurat is enabling scientists to quickly and easily create decision-enabling reports from …Discovery data. A critical feature is SEURATs ability to report and re-report both comprehensive and time-delineated updates. Enhanced Decision Clarity, Transparency, and Consensus Building Seurat provides …project teams an effective environment to quickly assess the quality of multiple compounds based on multiple parameters. … leads to more effective decision making regarding what to synthesize next, the greatest value lies in its potential to alleviate the time and resources that can be wasted over-perfecting a compound series. Increased Individual Innovation via Deriving New Insights from the Data Seurat is enabling scientists to analyze compound data in ways that have not been possible with our legacy toolset (including SpotFire). Increased Organizational Innovation via Increasing the Number of Capable Users …By reducing the environment complexity, Seurat has increased the number of users that can successfully utilize experimental data to its fullest capacity, which in turn increases the probability that new innovations and insights will be gained. 8 In the customers own words… 4 June 2009

9 Core SEURAT 94 June 2009

10 SEURAT Easily build Live Reports An assay value out of context looses meaning. Dont try to coerce data into a single form Biological Assays Imprecise values shown and can be used in calculations Aggregate experiments per compound mouse over for detail Pharmacokinetics & Pharmacology Confidence Intervals Link to full report when available 104 June 2009

11 SEURAT Easily build Live Reports Dont force user to articulate thesis to start, instead let the user organically grow analysis steps as needed Start with a simple query Incremental complexity – add, remove data as needed in steps Record script for replay – save it for later, to others Real-time data acquisition – always see the latest results 114 June 2009

12 SEURAT Make new discoveries about your data – SAR Alternate but linked views of results: Tabular and most familiar Matrix view with zooming and cell coloring for emphasis of hot spots Can still organically grow the tabular view to better inform the matrix view 124 June 2009

13 SEURAT Easy to adopt promoting greater collaboration 13 Crystal Structures Real Time Interactive Property Prediction Kinome browser 4 June 2009

14 SEURAT Easy to adopt promoting greater collaboration 14 Available chemicals directory Patent landscape browser PK Reports 4 June 2009

15 SEURAT Visualization Easy to use Analytics 154 June 2009

16 Rich Internet Application SEURAT reports in Sharepoint / Website 164 June 2009

17 Hosted SEURAT Multi-Site Collaboration 174 June 2009

18 Hosted SEURAT CRO Collaboration 184 June 2009

19 SEURAT Contact us Remember: We offer free 30 day evaluations of the SEURAT platform. We can get SEURAT setup to access your existing database(s) at no additional charge and without the need to migrate any data. 194 June 2009


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