NCGC Scaffold Hopper 1.0

Molecular scaffold is a fundamental concept in medicinal chemistry. Perhaps nowhere this is more apparent than during early stage discovery, where scaffolds are the primary means by which medicinal chemists communicate. Extending this concept further, we recently introduced Scaffold Hopper as a tool that utilizes scaffolds to facilitate context "hopping." Starting with either (i) a set of structures (e.g., hits from an HTS screening campaign), (ii) publication, or (iii) search terms, Scaffold Hopper allows the user to quickly "hop" between related contexts (i.e., compounds, documents, targets, MeSH terms) with just a single click.