Spectroscopy 2005 Products of the Year Winner: KnowItAll

The KnowItAll informatics system facilitates applications in spectroscopy, cheminformatics, ADME/Tox prediction and lead optimization. The Enterprise Server centralizes analytical, biological and chemical data resources onto a secure server, and assigns read/write ability to access those resources throughout an organization. Also, the OptimizeIt application suggests modifications of lead compounds by enumerating and analyzing combinatorial libraries.