A set of 30M cyclic organic compounds was extracted from the CAS Registry and analyzed to study changes in structural innovation over time. Scaffolds, defined as the ring systems and the chain fragments connecting them, were used to assess the molecular novelty of the compounds.  Our analysis presents findings on the pace of innovation and new regions of chemical space disclosed in recent years, including an assessment of FDA approved drugs suggesting that drug-hunters are pushing the boundaries and searching previously unexplored regions of the chemical space to find active organic small molecule drugs.

Innovation at a molecular level: Scaffold analysis of CAS registry

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.