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MDL® Discovery Experiment Management
MDL® Discovery Predictive Science
MDL® Reagent Selector
Click here to demo MDL Reagent Selector
Reagent Selector 1.4 enhancements
Reagent selection is a crucial step in library design, ultimately determining the structural diversity or focus of the library, the cost of a library, and the properties of the products produced.Reagent Selector offers scientists engaged in medium- and high-throughput synthesis integrated tools for selecting reagents, locating and obtaining compounds from in-house inventories, and "shopping" for databases of commercial suppliers. Developed for synthetic, medicinal and combinatorial chemists, Reagent Selector is designed to help researchers who are not experts in database searching and list manipulations to quickly and efficiently identify, locate, organize, and share libraries of reagents.
Based on Oracle, Reagent Selector's robust backend architecture is also designed to help IT professionals easily administer and configure the system in a variety of ways that unify and accelerate the scientist's workflow.
In Reagent Selector all functionality is accessible through one seamless interface, and reagent lists can be readily imported or exported from or to other software systems, such as MDL® ISIS, MDL® Central Library, MDL® Afferent, MDL® SMART, MDL® CIMS and other third-party applications.
Highlights:
Mine virtual reagent warehouses: Integrate and query commercial reagent sources and in-house inventories.
Standard filters: Include or exclude functionalities, elements, suppliers, or other present criteria, or customize the system to suit your needs.
Clustering algorithms: Reagent Selector includes the standard KMEANS clustering algorithm.
Property calculations: Configure Reagent Selector to run in-house or commercially created property calculation algorithms for refining, sorting, and filtering reagent lists.
Expedite reagent acquisition: "Shop" and "Collect" windows assist you with locating compounds in-house or ordering compounds from chemical suppliers. Tables can be printed, exported to ASCII files, or forwarded on to sample management systems.
Reagent Selector 1.4 Enhancements:
Reagent Selector 1.4 contains significant enhancements, including support for Microsoft® Windows 2000 server and Microsoft Windows XP client.
- Support for MDL® ISIS/Host 4.0
- Reagent Selector Server 1.4 can be installed on Microsoft Windows 2000
- Export data from the Collect area
- Specify a default set of filters that are automatically applied when you start a search. Also specify that NO default filter be active
Last Updated 29-Oct-2002
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