Integrated%20Compound%20Management%20using%20DaylightTM,%20JavaTM%20and%20Oracle

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Integrated Compound Management using DaylightTM,
JavaTM and OracleThe GNF Compound Management
System Project

• Elena Rodriguez, GNF
• Steven Wilkens, GNF
• Chris Palmer, MVLLC
• Jack Crawford, MVLLC

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Initial GNF Compound Management Challenges

• No compound registry
• File-based
• No searching capability
• No automated plate tracking
• Error prone
• Manual entry

• No project management
• Lack of tracking and scheduling
• Problems with scalability
• Reliability of underlying systems
• Manual process bottlenecks

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Imminent Challenges

• Growth of compound collection
• Increased screening throughput
• Migration from 384 to 1536 storage format
• Establishment of GNF Lead Discovery effort
• Spin-off company support

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Desired Objectives

• Capture and maintain compound collection in
  secure, scalable, electronic format
• Design and implement web-based information
  management tools in order to
• Make intelligent business decisions based on
  current collection status
• Make intelligent scientific decisions based on
  cheminformatics data

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Goal The GNF Information Management Center

• GRS GNF Registration System
• Secure, scalable, searchable corporate registry
• PRS Plate Reformatting System
• Transactional data capture for core facility
  process
• CLS Container Locator System
• Enterprise-wide container management
• CRS Compound Request System
• Operational component of lead follow-up process

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GNF Compound Flow
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GNF Registration System

• Built on DayCart!
• Batch load of SD files, library based
• One-off registration
• Structure searching
• Compound library comparison
• Foundation for compound follow-up

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GNF Plating Operation
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Plate Reformatting System
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Container Locator System
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Compound Request System

• On-line ordering of follow-up material
• Linked to GRS and PRS data

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Development Team

• Managed Ventures LLC
• Jack Crawford
• Chris Palmer
• Robert Bamford
• Chris Novak
• Brad Ziola
• Kim Collins
• Ben Chang
• Special thanks to
• Jack Delany, Daylight
• Michael Tennant, Syrrx
• Alberto Gobbi, Anadys
• Bernd Rhode, Novartis

• Genomics Institute of the Novartis Research
  Foundation (GNF)
• Steven Wilkens
• Elena Rodriguez
• Kristina Burow
• Jeff Janes
• Kaisheng Chen
• Jared Ek
• Paul Calvin
• Christina Guintu
• Dennis Theodoropoulos

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Technology Stack
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Demonstration

• Chris Palmer
• Managed Ventures LLC