Our methods serve a multitude of chemical industries as well as regulatory agencies. The main applications are in developing proposals for synthetic routes, exploring IP position of proposed routes, evaluating numerous synthesis options against several criteria (greenness, overall yield, overall synthetic complexity). We target the development of circular economy, the sustainable use of bio-resources, and carbon emissions reduction. Variations in our algorithms and datasets allow us to provided tailor-made solutions.
Commodities. We can identify potential substitutions of feedstocks to current products from fossil feedstocks to bio-based feedstocks, methane, carbon dioxide or specific molecules and mixtures that are obtained from processing waste streams.
Intermediates. We are able to evaluate potential routes to intermediates from alternative feedstocks and can provide customised ranking schemes based on specified criteria. We can evaluate the potential for circular use of molecules at the end of product’s life.
Pharmaceuticals. Our software allows to explore current knowledge about specific transformations, including influence of substitution groups, or other reaction parameters, on reaction outcomes, providing a summary of a priori knowledge. We can propose alternative routes to a target molecule, exploring known chemistry, as well as suggesting potentially feasible (analogue) reactions that would require experimental validation. This includes chiral transformations.