Scaffold Diversification

Diversify your search space to find analogue compounds with similar binding characteristics in just a few weeks.

Extend your search: diversify single to multiple candidates from millions of compounds in your library

Diversify and Increase Your Hit Rate

pharmAI's Focused Library Service helps our customers to focus their search. After an initial scan of the target or compound, pharmAI's algorithm will predict the chemical subspace where the interaction probability is highest.

  • Multiple focused search spaces where the probability of hits are highest
  • The proposed spaces are diversified with regard to scaffolds, hence, increasing the diversity of possible hits
The graphic describes the chemical space provided by a common commercial compound library provider. Each blue dot in the map corresponds to one compound. The full map is composed of 2.000.000 compounds.
Left: Initial planned screening chemical space (highlighted in big orange circle).
Right: Proposed screening space by pharmAI (highlighted in small orange circles).