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MDL® Discovery Experiment Management
MDL® Discovery Predictive Science
MDL® ChemBio AE
MDL ChemBio AE, an application developed by MDL Consulting Services, is a storage system for chemical data and a retrieval and viewing solution for chemical and biological data. Scientists can register single compounds or entire libraries using its intuitive interface—while ChemBio AE automatically checks for duplicates, strips salts and solvents, assigns ID numbers, and calculates chemical properties.Scientists appreciate ChemBio AE's ability to integrate chemical and biological data side by side. Using a combination of sub-structural and data queries, scientists can quickly and easily retrieve chemical and biological information. Associating these data in a single view facilitates the identification of compounds for future investigations.
An Integrated Solution
ChemBio AE is part of a complete experiment management solution from MDL that spans activities from synthesis planning to biological testing. It can be used in conjunction with other products such as MDL Apex, MDL's integrated plate management system, MDL Assay Explorer, for screening data capture, analysis and storage, and MDL Report Manager (formerly Assay Explorer Report Manager), for comprehensive data reporting to provide a complete workflow solution for screening needs.
ChemBio AE delivers an out-of-the-box system that combines an easy-to-use interface, integration capability with other applications, and administrative tools for simplified management of the database.
ChemBio AE features robust, secure storage of data—chemical data in an MDL ISIS/Host database and numerical and text data in an Oracle relational database.
Highlights
Chemical Registration
- Duplicate checking and resolution
- Automatic generation of structural properties, such as molecular weight and formula
- Salt and solvent stripping, creating a parent structure database
- Corporate ID number generation
- Registration of multiple batches for a given structure
- SDfile loading with global data capability and mapping utility
- Normalization of registered chemical structures using MDL Chemical Rules Interface (formerly Cheshire for ISIS), a chemical scripting language.
Searching and Viewing
- Structure-based searching, including similarity, exact match, and substructure searching
- Automatic data retrieval based on search request
- Linking from search results to supporting data
Administration
- Managing lookup tables, SDfile mappings, users, projects, and assay definitions
- Management of user access through flexible security roles
Because ChemBio AE is built on the MDL ISIS/Base framework, the application can be customized to suit company-specific needs.
Last Updated 24-Apr-2002
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