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Modgraph Consultants

Chemistry, Cheminformatics and Molecular Modeling Software Solutions

More info about Modgraph Consultants

Chemical Supplier Catalogue

Modgraph Consultants

A unique cost effective way to access chemical supplier catalogues.

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 Ren 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 CSC 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 Load the suppliers you like, the very day the catalogue arrives – no more out-of-date information, and no more useless entries from suppliers you don’t use.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  • Data can be out of date or obsolete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
  • 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 CSC 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 built the supplier catalogue, searching is simple:

  • Ren’s powerful web-based interface provides intuitive “hitlist” based searching
  • A specialised 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 a 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-prioritisation system lets you select suppliers using several techniques:

  • Minimise purchase orders by selecting the suppliers that can provide the most compounds
  • Minimise cost by selecting the lowest-cost supplier for each compound
  • Minimise 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.


The Modgraph CSC 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 systems.

Quick Contact Chemical Supplier Catalogue