Transformation analysis reveals structural similarities in FDA-approved drugs
Reaction informatics tools combined to create a new method for mapping chemical space
Researchers in Switzerland have used a combination of reaction informatics tools to compare pairs of molecular structures by considering how to transform one into the other. While some pairings entailed feasible transformations, others required multiple and complex structural rearrangements. The team likened the second set of transformations to alchemical transmutations, to emphasise their complexity.