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Modgraph Chemical Supplier Catalogue

Summary

The Modgraph Chemical Supplier Catalogue (CSC) provides an in-house solution for chemical-supplier catalogues.

  • The CSC loader lets you install and manage supplier catalogues with a few clicks.
  • Modgraph's state-of-the-art chemical registration technology ensures consistent chemistry amongst suppliers and catalogues.
  • Modgraph's René provides simple but powerful web-based searching, and is enhanced with reagent-selection and purchase-order assistance features.
  • Oracle and Daylight DayCart(tm) provide the high-performance back-end.
  • Auditing feature ensures that compounds dropped by a supplier can still be found if necessary.
Modgraph's Chemical Supplier Catalogue lets you control the data.  Load the suppliers you like, the very day the catalogue arrives -- no more out-of-date information, and no more useless entries from suppliers you don't use.  Search the data using the most modern web-based front end available.  And load as many suppliers as you like -- Daylight's DayCart can easily handle millions of compounds.

The Problem

Researchers need an accurate, up-to-date catalogue of available compounds.  But existing solutions have limitations:

  • Data can be out of date or obsolete
  • Data quality can be poor
  • You have no control over which vendors are included.  Your preferred supplier may not be included, and suppliers that you never use are included.
  • Per-user costs are high.  The catalogue is very expensive when deployed widely.
  • Chemical search performance is not up to modern standards
Researchers often have a drawer full of supplier's catalogues on CDs.  The most-current vendor data, from exactly the vendors you want, sits there gathering dust.

The Modgraph Chemical Supplier Catalogue (CSC)

Modgraph's Chemical Supplier Catalogue solves these problems.  You take control of your catalogue:

  • No more obsolete data -- load a catalogue the day it arrives.
  • You load the catalogues you want, and specify which suppliers are your "preferred" suppliers.
  • When a new issue arrives, it's simple to replace the previous issue, yet an audit trail lets you review all catalogues that you've ever loaded.
Once you've build the supplier catalogue, searching is simple:
  • René's powerful web-based interface provides intuitive "hitlist" based searching.
  • A specialized reagent-selection web page provides access to hundreds of SMARTS expressions by name - chemists don't have to enter SMARTS or draw queries.
  • Reagent selection also lets you select supplier constraints and physical-property constraints and finally, a simple web page lets you make final selection of suppliers for each compound and generate a purchase order.

      Once you've found the compounds you want, you need to select one supplier for each compound.  The supplier-prioritization system lets you select suppliers using several techniques:
    • Minimize purchase orders by selecting the suppliers that can provide the most compounds
    • Minimize cost by selecting the lowest-cost supplier for each compound
    • Minimize problems by ranking suppliers and selecting the most reliable suppliers
    This three-stage approach -- loading, searching, and supplier selection -- brings a complete, powerful chemical supplier catalogue system under your own control


    Requirements

    The Modgraph Chemical Supplier Catalogue requires:

    • Oracle 8, 9i, or 10
    • Daylight DayCart(tm)
    • Sun Solaris or Linux (e.g. RH 7.2, RH ES, Mandrake 10.0)
    • Perl 5.6
    • Apache 2.0
    For budget-minded installations, we can also provide lower-cost solutions using Daylight's Thor/Merlin(tm) systems.