MapMaker: An integrated compound library design tool


Daming Li and Sergio H. Rotstein. ArQule, Inc, 19 Presidential Way, Woburn, MA 01801
The design of a compound library requires a number of disparate steps, including reagent selection, product enumeration, the computation of properties of the enumerated products and the analysis of these properties in the context of the library as a whole. This process often involves a number of different software products across multiple operating systems, as well as the import, export and transfer of compound and property data between these systems. The complexity of the process often limits library design activities to domain experts. MapMaker is a library design tool that integrates the steps through a web-based user interface. In effect, MapMaker eliminates most of the technical complexity of the library design process, enabling synthetic chemists to carry out their own library design without requiring expert assistance

General Papers
2:30 PM-5:00 PM, Thursday, August 26, 2004 Pennsylvania Convention Center -- 110A&B, Oral

Division of Chemical Information

The 228th ACS National Meeting, in Philadelphia, PA, August 22-26, 2004