MUG '04 -- 24 - 27 Feb, 2004

A Systems Approach to Prioritizing the Synthesis of New Compositions of Matter

Steven Muskal
Sertanty, Inc.


We have previously described our multi-disciplinary informatics platform - LUCIA and its ability to capture and explore reaction chemistry, biological data, etc. Leveraging LUCIA technology, its two integrated knowledgebases, and a panel of over 45 eScreens, our next generation ChIP (Chemical Intelligence Platform) system can prospectively "mix-n-match" compatible synthetic strategies in-silico to explore novel compositions of matter with probable improvements in potency, selectivity, and ADMET profiles. Taking a systems approach, ChIP can suggest and help prioritizes novel, medicinally relevant compounds for consideration, while providing potential synthetic strategies for each.

Presentation slides:

Daylight Chemical Information Systems, Inc.