Integrated tools for selecting reagents, locating and obtaining compounds from in-house inventories, and shopping from databases of commercial suppliers.

A Chemically Intelligent Tool for High-throughput Chemistry

Reagent Selector enables chemically intelligent selection of reagents, and includes the ability to create orders from in-house inventories and commercial sources (using Symyx Available Chemicals Directory).

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 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.

• 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 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