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MDL® Discovery Experiment Management
MDL® Discovery Predictive Science
MDL® Afferent
Try MDL Afferent 3.0 free for 30 days!
The MDL Afferent product suite is a single, integrated software system that spans the modern discovery chemistry workflow. The 3.0 release of the suite introduces an object-oriented chemical knowledge base that offers planning, archiving, and analysis tools suitable for both combinatorial and classical organic synthesis.The product suite comprises three functional modules:
- MDL Afferent Structure, the core of the Afferent suite, enumerates combinatorial product structures using a reaction-based approach to library representation. The system tracks physical locations, ID numbers, and other pertinent product data.
- MDL Afferent Synthesis, an optional module, enables seamless transfer of reagent and workflow information between Afferent and leading automated systems.
- MDL Afferent Analytical, an optional module, handles MS and LC/MS data from the most popular instruments used for combinatorial analysis, interpreting the data in the context of product and by-product structures.
With the 3.0 release of the suite, MDL introduces MDL Afferent TeamWorks 3.0, a chemical knowledge base that stores data in standard Oracle database formats. MDL Afferent 3.0 is also available and stores data in Microsoft Access. Both products help chemists perform the varied tasks associated with modern chemical discovery. New features in the 3.0 versions include:
- A knowledge-base approach to the management of synthetic experimental data that uses definable, iconic objects to represent reactions, libraries, molecules, samples, and experimental procedures.
- A robust search capability that enables chemists to search the knowledge base not just by parameters pertaining to an object, but by an object|s relationship to all other objects. This enables complex queries, such as, "Find all experimental procedures in the database that proceed entirely below 50 C, do not require an argon atmosphere, and use a reagent containing copper."
- The ability to distinguish between data pertaining to a chemical structure and data pertaining to a sample of that compound, enabling knowledge-base functionalities (inventory, "cherry-picking," "daughter plating," representation of crude and purified samples, etc.)
- A familiar interface based on the Microsoft Windows Explorer and a data model that mirrors the chemist's everyday reality.
Both Afferent TeamWorks 3.0 and Afferent 3.0 integrate easily with other MDL software, such as MDL ISIS/Draw, MDL Reagent Selector, MDL ISIS, and MDL Central Library databases.
MDL Afferent TeamWorks was created using Allegro CL.Last Updated 24-Apr-2002
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