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| MDL® Direct |
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| MDL Direct - The database tier of the MDL® Isentris® system |
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| MDL Direct, the industry-standard chemistry data cartridge powers database access within the MDL Isentris system by enabling the searching and registering of structures and reactions in Oracle® databases. |
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| MDL® Direct combines structure and reaction management in a single chemistry cartridge. MDL Direct enables researchers and developers to work directly with Oracle's standard SQL syntax to manage fully relational structure and reaction databases while also integrating other enterprise data in the open Oracle environment. |
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MDL Direct now includes fastsearch for reactions to complement proven fastsearch technology for structures, giving the system unparalleled scalability and extensibility. The system is proven with databases containing in excess of 20 million structures, and 5 million reactions.
MDL Direct now supports the searching and registration of hindered-rotation stereoisomers (allenes and biaryls), while continuing to enable the same wide range of chemical search operations that is currently available with MDL ISIS/Host including: |
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- 2D/3D exact and substructure searches
- Similarity, formula, Rgroup/Sgroup, polymer, and mixture queries
- The valuable flexmatch operator that scientists may use to fine-tune retrieval and archiving functions
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Benefits for Research Scientists
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Comprehensive and proven chemical representation
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Richest set of query features and search capabilities in order to find only the hits of interest
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Enhanced stereochemistry to represent relative and partial stereochemistry down to individual stereogenic centers
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Registration and search of hindered-rotation biaryl and allene stereoisomers
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Benefits for DBAs and Developers
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Proven fastsearch technology for reaction and structure search performance
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Database and index maintenance entirely in Oracle
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Application development can be done with modern programming languages using JDBC, ODBC, ADO or other state-of-the-art database drivers for database access via MDL Direct
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Data model independent
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Structure and reaction tables may be placed anywhere in the schema
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Full support for Oracle features like RAC, row-level security, Streams and others
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Available on the Linux operating system for affordable and scalable systems
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Enhanced Stereochemistry
MDL Direct implements MDL's enhanced stereochemical recognition capabilities. Enhanced Stereochemistry overcomes restrictions in the previous representations and better meets the challenges and requirements of representing stereochemically relevant structures. |
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Phased migration
Existing MDL ISIS/Host customers and those customers with earlier versions of MDL Direct can migrate to the new environment at their own pace in a step-wise, straightforward manner. Migration tools to convert existing ISIS Server-based databases are provided with the latest version of MDL Direct. Registration forwarding between MDL Direct databases and ISIS/Host databases assists in the transition from MDL ISIS-based applications to MDL Direct applications. Proprietary ISIS/Host reaction databases can be migrated with the assistance of Elsevier MDL Consulting. MDL's commercial databases are available in an MDL Direct 6.0 format. |
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Flexibility in Managing Reaction Information
MDL Direct capabilities include structure and reaction registration and searching, using substructure, exact and flexmatch searches for both structures and reactions. MDL Direct is data model independent; structures and reactions can be embedded in any data model, giving the applications developer maximum flexibility in database design. Applications built on MDL Direct use SQL to access the structure and reaction information giving the developer maximum flexibility in application design.
Expand your information system: Build databases containing structures, reactions, polymers, and mixtures. There are no restrictions on the size of structures and reactions that can be registered and searched.
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Atropisomerism
Rotationally restricted structures (atropisomers) are frequently used in stereo-selective syntheses and their importance as pharmaceuticals has been identified, for example vancomycin, and kotanin.
The potent mycomycin anti-microbials contain allenic substructures.
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Biological macromolecules
MDL Direct does not place arbitrary limits on the size of structures that it can register and retrieve. This makes it an excellent choice for the management of chemically modified peptides and proteins, and modified DNA and RNA.
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