Building an Electronic Research Habitat at ETC Peter Condron 2008 Chem. Axon European UGM 1 PUBLIC
Who ? • The Experimental Therapeutics Centre (ETC) was founded in 2007 with the mission to – engage in early stage drug discovery and development – develop innovative research tools for clinical analysis – set-up public-private partnerships to facilitate the advancement of drug candidates. 2 PUBLIC
Singapore 3 PUBLIC
GSK Health Sciences Authority (HSA) Institute of Bioengineering & Nanotechnology Experimental Therapeutics Centre Novartis (NITD) Bioinformatics Institute of Molecular and Cell Biology Bioprocessing Technology Institute Genome Institute of Singapore Schering Plough Translational Research Eli Lilly 4 PUBLIC
Structure and Capabilities of ETC Reagent development and production Core Technologies - Protein production - m. Ab production Assay development and validation HTS (si. RNA, phenotypic) Project Management Output Target Validation with collaborative partners Validated targets, new exciting technologies, novel therapeutics, quality reagents & diagnostics 5 PUBLIC
Building an Electronic Research Habitat at ETC • Integrated Informatics Environment • A set of inter-related IT platforms that allows data to be: – – Accessed Queried Integrated Visualized • Independently of equipment, data type, source, originator, format and with a minimal of effort 6 PUBLIC
High Level View Electronic Lab Notebook Chemistry Library Results Manager Chemistry Inventory HTS Manager 7 PUBLIC
Slightly More Informative View e. Novator e. LN Electronic Lab Notebook Chemistry Library Results Manager j. Chemistry Inventory HTS Manager 8 PUBLIC Bespoke in-house Developed Applications
Insanely Detailed View 9 PUBLIC
Why j. Chem Cartridge? • • • Ability to handle ~10 Million Compounds Easy to Register / Search Easy to Integrate with other Systems Easy to Customize Building on existing skills (Oracle) Rapid Implementation 10 PUBLIC
Approach • Iterative methodology • Time-box development • Phase – Gate Process control mechanism 11 PUBLIC
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Results 13 PUBLIC
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Results • Complete enterprise Chemical Registry System – – – Centralized Oracle Database to store all compound information Completed ETC registry number system for all compounds (The ETC number) Completed Ability to add newly synthesized compounds to the database Completed New compound QC: Duplicates, Similarity matches, Chemical properties Completed Review and Approval workflow for new compounds Completed Bulk / Library upload request and approval mechanism Completed e. LN link for synthesis protocols, project information Completed Substructure, Superstructure, Similarity Searches Completed Chemical property / Metadata Searches Completed Marvin View / Sketch Integration Completed Chemical Calculator Integration Completed User / Group Management 21 PUBLIC
Results • Designed / Developed / Tested / Deployed to Production in 1. 5 Months with 1. 5 FTE !! 22 PUBLIC
Thoughts so far • Really well thought out / efficient core functionality • Cartridge allows access to majority of functionality • Simple to integrate with. net • Rapidly deployable • Jchem Manager application a bit clunky • . net documentation / examples a bit lacking • License files for calculators a bit problematic • Knowledgeable / Responsive Support (Thanks) 23 PUBLIC
Next • Looking forward to creating v 2. 0 (Sometime Q 4 this year) – Migrate to version 5. 0 – Improved UI – Improved integration model (Services) 24 PUBLIC
info@etc. a-star. edu. sg 25 PUBLIC www. etc. a-star. edu. sg
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