Objective: picking the most likely hits for your target from among 5 million commercially available compounds, on the basis of either a known pharmacophore or the 3-D structure of an active site.

Typical project: medium- or high-throughput screening

Technology: in silico screening is performed by pharmacophore searching or molecular docking with commercially available software (Catalyst, Unity, Gold, FlexX, LigandFit). Post-processing is done with Sieve®, our in-house analysis tool. Our post-processing strategy guaranties selection of the most chemically diverse hits from non-redundant molecular scaffolds.

Competitive advantage: in silico screening of large libraries yields hit lists which are particularly rich in active compounds (ca. 20-30%) vis-à-vis a user-defined target, with incomparably low cost and high speed. Screening is carried out by a team of experienced chemoinformaticians.