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Transcript of Synaptic Science LLC Seurat Structure Exploration Utility for RAtional Therapeutics Democratizing...
![Page 1: Synaptic Science LLC Seurat Structure Exploration Utility for RAtional Therapeutics Democratizing access to data and tools for discovery ChemAxon UGM June.](https://reader033.fdocuments.in/reader033/viewer/2022051613/55146537550346494e8b5b11/html5/thumbnails/1.jpg)
Synaptic Science LLC
SeuratStructure Exploration Utility for RAtional
Therapeutics
Democratizing access to data and tools for discovery
ChemAxon UGM June 2007 Partner Lightning Round Presentation
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Synaptic Science Company Overview
• Spun out of Celera Genomics in mid 2006• Outright assignment of 3 years worth of IP from team of 6
– Primary IP is Seurat platform (12 FTE years of development)– Algorithms and visualization techniques
• Seurat is a proven drug discovery platform that has been shown to improve productivity (Celera / 10 projects / 150 users / 3 years)
• Team of six highly experienced computational chemists, mathematicians and software development specialists
• Several customers already and many pilot installs / evaluations underway
• Presented at ChemAxon UGM in 2006
• Offer a significant discount to academic users
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Why Seurat?
“The effective integration and use of information and data will become the single biggest differentiator of
pharmaceutical R&D in the next decade“
-D&MD report on Bioinformatics
http://www.ejbiotechnology.info/content/vol3/issue2/full/4/index.html
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What is Seurat? Product Overview
• Structure Exploration Utility for Rational Therapeutics
• Suite of software tools for team based real-time collaborative drug discovery
• Brings together many data points into complete picture
– Flexible access to corporate DB & meta-information.
– Open System: Incorporate in-house tools easily.
– Perform & track SAR analyses.– Visual Data Mining: Create & track
hypotheses.– Easy for bench scientists to use.
• The power of JChem Base in the hands of every chemist and biologist
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Why use Seurat?Benefits to your organization
• Support federated data sources: Seurat can work against your existing medicinal chemistry database(s). Companies have many suppliers of tools and data – integrating this data is critical
• Chemically and Biologically-aware: Always include chemical structures in biological context– Appropriately handle experimental uncertainty or complexity: show/hide
details as needed.
• Decision script paradigms: Allow users to flexibly build process pipelines and reuse step components
• Orthogonal perspectives from tables: mine, visualize, explore, save, update SAR. Make new discoveries about your data, even data that you have analyzed for years.
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SeuratSomething for every scientific discipline
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SeuratSomething for every scientific discipline
Crystal Structures
Real Time Interactive Property Prediction
Kinome browser
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Seurat Something for every scientific discipline
Available chemicals directory
Patent landscapebrowser
PK Reports
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SeuratSupporting federated data sources
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Seurat Programmable Job Model API
• User decisions are saved as a hierarchy of job objects
– Can be executed without GUI– This is how the cache of results is
refreshed overnight
• Help->Debug Job allows you to see a visual representation of how to combine jobs to get a result
– Learn by example
• Parent jobs can be combined logically (AND, OR, NOT, PIPE)
• Use Seurat GUI or programmatically create your own jobs then
– Display results within your own GUI / Webpage
– Use a Seurat job as a step in a pipeline
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SeuratChemically and Biologically Aware
Showing compound data without including chemical structures is like starving chemists of oxygen.
• SAR Analysis– Equations can be applied to
structures and data.– R-group decomposition
• Import and Export chemical structures
– Microsoft Excel (Structure images), PDF, SD files
– Copy and paste into Microsoft PowerPoint
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SeuratIntelligent handling of experimental
uncertainty or complexity
An assay value out of context looses meaning. Don’t 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
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SeuratDecision script paradigm
Don’t 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, email to others
• Real-time data acquisition – always see the latest results
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SeuratOrthogonal perspectives from tables
Allow users to actively discover information using several orthogonal tools. Allow users to save snapshots as hypotheses & track these.
• Size, color etc. allows analysis in >2D
• All views are linked, selection in one is echoed into other views.
• Dynamic filtering applies to all views simultaneously
– Which series is best?
– What should I assay next?
– What compound to synthesize next?
Drag and drop
rows / cols to cluster
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Seurat Orthogonal perspectives from tables – 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
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SeuratPresent and Future
Customers report ease of adoption leads to rapid uptake by users
Seurat users discussion group meeting @ Genentech June 29th
• “Introduction and Application of Seurat at SGX Pharmaceuticals”• Come if you are in the San Fran area, talk will be posted to our website
• Contact US– [email protected]
– +1 301 915 0274
– www.synapticscience.com
• 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.