SOFTWARE: MDL

MDL, an Elsevier division, offers a variety of software for the area of Combinatorial Chemistry and High-Throughput Synthesis.

Project Library is a desktop software application to create and handle combinatorial library data. Project Library creates virtual libraries based on scaffold-substitution. In other words, a combinatorial library with a common scaffold is created and its corresponding diversity sites varied (R1, R2, etc.). Project Library covers arrayed and spatially addressable synthesis, encoded mixture synthesis, and deconvolution. For more information on Project Library click here.

ISIS for Microsoft Excel 1.1.6 is another application that allows the search and retrieve of molecular structures through a spreadsheet interface. This application facilitates the data analysis process for better SAR analysis. ISIS for Microsoft Excel is 100% compatible with MDL's ISIS/Base database and Oracle. For more information on ISIS for Microsoft Excel click here.

Central Library is a server-based system to handle chemical structure databases. Central Library provides access to reagent databases, it processes reagents into libraries, and it registers and manages combinatorial chemical libraries. As in Project Library, Central Library covers arrayed and spatially addressable synthesis, encoded mixture synthesis, and deconvolution. For more information on Central Library click here.

Reagent Selector 1.2 facilitates the selection of reagents, the location of compounds from in-house/corporate chemical inventories as well as the location of reagents from databases containing commercial suppliers. Reagent Selector 1.2 allows the use of molecular descriptors as filters during the reagent selection process. Reagent Selector 1.2 can work in conjunction with MDL's SMART system, a proprietary system for the creation of purchasing requests. For more information on MDL's Reagent Selector 1.2 and SMART click here.

MDL also offers a database oriented exclusively to solid phase organic chemistry: Solid-Phase Organic REactions (SPORE). The SPORE database covers literature (articles and patents) from 1963 to present on solid-phase organic chemistry including data such as solid supports, linkers, protecting groups and more. For more information on the SPORE database click here.

MDL has at its site free software that can be downloaded. To visit this site click here.

MDL acquired Afferent Systems Inc. in June 2000, a company also engaged in developing and providing software for combinatorial chemistry and drug discovery. To read a review of Afferent's products here CombiChem Lab click here.