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Leadscope Enterprise

 Demonstration
Collaborative solution to access your entire compound and data collection
Intuitively access chemical analysis and visualization
Exhaustively, yet rapidly uncover patterns and outliers
Description
  • Corporate data management and decision support
Features
  • Access to massive public and proprietary content from behind your firewall
  • Can handle millions of structures with data
  • Load up to 100,000 compounds with associated data either on the server or on a local database
  • Different ways of grouping sets of chemical structures including:
    • A classification based on over 27,000 medicinal chemistry building blocks
    • Recursive partitioning with simulated annealing (a technique for identifying active classes)
    • Structure-based clustering
    • Scaffolding
  • Subsetting methods
  • User-defined alerts
  • Structure-based searching (such as substructure or similarity)
  • Colored graphical views of correlations
  • Calculates properties (for example aLogP, polar surface area and Lipinski scores)
Requirements
  • Client
    • Windows 2000 or XP
    • minimum Pentium III 700MHz processor
    • 512 MB RAM
    • 1 GB disk space
  • Server
    • OS: Windows 2000/ Linux RH 8.0+/ Solaris 8+
    • Database: Oracle 8i Release 2 (8.1.7.4) or Oracle 9i (9.0.2.4)
    • minimum 2 processor
    • 2GB available RAM
    • minimum 25 GB of disk space
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