Life Sciences Oracle Based Solutions. June 2004

Transcription

1 Life Sciences Oracle Based Solutions June 2004

2 Overview of Accelrys Leading supplier of computation tools to the life science and informatics research community: Bioinformatics Cheminformatics Modeling/Simulation Some Accelrys Products on Oracle: DS SeqStore Sequence Data Management DS AtlasStore Protein/ligand Structure Data Management Accord Enterprise Cmpd Registration & HTS Data Management DS Accord Cartridge Ligand structure cartridge DS ProjectKM Secure project management Structure Checker Rule based chemistry check Accord Enterprise Webkit

3 DS SeqStore Secure management of public and proprietary sequences Sequence versioning Rapid data loading GCG Wisconsin package integration Key Advantages Advanced text searching Storage of queries, result sets and annotations Versioning, timestamps, sequence histories Oracle Features Oracle Text Materialized views Oracle9i

4 DS AtlasStore Protein, ligand, and x-ray data management Ligand/Protein database Versioning of protein data X-ray data storage Key Advantages Substructure ligand searching Deposition of public and proprietary protein and ligand structures Integrated querying Oracle Features Oracle Text XML Materialized views Data cartridges Oracle9i

5 Accord Enterprise Informatics Accord Enterprise Client Accord Inventory Accord HTS DS Accord for Excel Enterprise DIVA Administration Assay management Compound registration Samples & material transfers Create and Track containers Manage Plate Translation, Dilution and Hierarchy Create and Track Requests Screening workflow Sending HTS data Viewing HTS data Decision support Reporting Querying, viewing & reporting Calculating Mol properties Storing/retrieving Low Throughput screening data Compound registration Data Analysis Trend visualization Decision support Reporting Accord Enterprise Webkit Data Catalog DS Accord Enterprise Core Data Catalog Other Oracle db Analytical Data or Image db DS Accord Biostore/ HTS/ Inventory DS Accord Chem. Cartridge

6 Oracle and the DS Accord Chemistry Cartridge Oracle data management capabilities Oracle 9i support Oracle maintenance indexing, querying largest installation currently 8 Million structures Runs on Windows, Solaris and Linux Chemistry handled in standard SQL statements and PL/SQL scripts OH H Fe Fe OH H

7 DS Accord Data Cartridge 2D chemical structure storage and searching 2D substructure search 3 similarity search types Key Advantages SMILES searches Exact and equal searches 3 additional similarity searches Scalability Oracle Features Data cartridge Oracle9i

8 DS ProjectKM Integrated knowledge management of chemistry and biology data Security by user and groups Key Advantages Preserve a user specific record of all computational results Use centralized database to collaborate across disciplines in informatics and simulations Oracle Features Materialized views Oracle Text Oracle9i

9 Enterprise Informatics Accelrys is the largest provider of software and informatics in Life Sciences Secure, scalable data management of drug discovery data Oracle9i DS SeqStore Bioinformatics database Sequence & genomic oriented Oracle9i DS AtlasStore Proteomics database Structure oriented Accord Cartridge Oracle9i Accord Enterprise Informatics Ligand & HTS data Accord Cartridge

10 Oracle Features Used Today Supports Oracle 9i and 8i Uses XML DB, Oracle Text Utilizes the Accord Data Cartridge Materialized Views Testing database on RAC planned 400 GB Database currently from 32 Genomes: (1.6 million homology models, 5,000 ligands, 21,000 protein structures)

11 Oracle Benefits Security of Oracle Proprietary sequences and structures Reliability of Oracle Industry standard in life sciences XML and SQL together Integration with other drug discovery domains (Clinical, legal, HR)

12 Planned Oracle features to be adopted in the future Oracle Data Mining Cross Platform Transportable Table Spaces Statistics Automated Storage Management (ASM) More XML and Text functionality