Oxford, UK - November 2009
The quantitative measurement of molecular similarity has long been an essential tool in computer-aided drug discovery, in particular for the identification of new leads and scaffold hopping. Until now, however, there has been no fast, non-superpositional method that accounts for enantiomeric (mirror image) molecules, an essential facet of many biological interactions. InhibOx has now made an important breakthrough to meet this challenge.
The idea of using molecular similarity to search molecular databases has a long history [