XR Pharmaceuticals Ltd experiments in the area of computational drug design. Currently we have two algorithms in development.
The first algorithm is based on classical molecular electrostatics concepts, with addition of a thorough elaboration on a theory of molecular complementarity. The software is in a semi-final stage, and we are able to use it in practice for early computational drug discovery. Inquiries are welcomed.
The second algorithm is designed for quantum computers, and is in very early stages of development. Stay tuned…

Our performance goals for both approaches are:

  • To be able to develop a ligand with the highest theoretically possible affinity for any large chemical structure;

  • To eliminate the problem of non-druggable targets;

  • To output completely novel, patentable, scaffolds, which were neither synthesized yet nor found in the Nature;

  • To cut down the structure discovery time to 1-2 weeks;

  • To cut down the costs of structure discovery tenfolds.