MUG '05 -- 9 - 11 March, 2005

Integration of Chemoinformatics and Fragment-based Lead Discovery

Kashif Hoda
Structural GenomiX, Inc.


SGX has developed FAST(tm) (Fragment of Active Structures), a proprietary technology for lead discovery. In this fragment-based technology, large-scale crystallographic and biochemical screenings, library designs and synthesis are conducted on a daily basis. It is critical to ensure seamless data tracking and query system across the entire processes from fragment screening and selection, virtual library generation, library design, library synthesis, which supports lead discovery efforts. The concept and implementation of the system will be discussed.

Daylight Chemical Information Systems, Inc.