
We have developed software to generate a number of fragment-based screening libraries for our own use. Given our internal success, we have used the same methodology to create a series of commercial offerings. In general, the screening libraries contain ~300 - 350 compounds and have been optimized to cover as much diversity space as possible given the target class restrictions. Currently we do not synthesize these compounds but rather we extensively mine > 10 million compounds to select the most appropriate material for our own screens and pass this experience on to our library customers.
A number of in-house computational approaches including psuedo-3D pharmacophore mapping, Bayesian probability modeling and bio-property prediction schemes are used during our selection process. These may be tailored for specific target classes upon request.
Compounds may be screened by common methods such as x-ray crystallography, NMR, or SPR. Since the fragments are selected for solubility, they may also be appropriate for high-concentration biochemical screens and have been used successfully for protein families such as kinases. Compounds arrive pre-plated in 96 well plates and have been shipped world-wide.