Objective: customizing libraries by starting from commercially available 'drug-like' compounds - thus ensuring maximal diversity for a user-defined number of molecules.

Typical project: medium-throughput screening of libraries (<10,000 molecules) against orphan or quasi-orphan targets, in cellulo or in vivo screening of a metabolic pathway.

Technology: From our stock of 5 million commercially available compounds (sourced from over 30 screening collections such as Asinex, Biospecs, etc.), the use of in-house cheminformatic filters allows the selection of 'drug-like' molecules only. Using a proprietary algorithm, each collection is classified in terms of its molecular scaffolds. Duplicate scaffolds are removed and the various collections are then merged to yield a unified library of around 23 000 scaffolds from which a user-defined number of representatives can be automatically extracted. The end result is a library of the desired size.

Competitive advantages: Our strategy ensures an optimal compromise between the size and molecular diversity of a library specifically designed to meet your needs. Moreover, considering molecular diversity in terms of scaffolds and not just computed descriptors enables the selection of compounds, just as a medicinal chemist would do by eye.