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.1 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.
Comparing and mapping molecules in chemical space, where distances represent similarities between molecules, can reveal structural similarities and relationships that drive drug development….
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News Source: www.chemistryworld.com