Fig. 1

The schematic diagram for the NC-MFP concept is illustrated. The schematic diagram to explain the underlying idea of the hierarchical structure of the NC-MFP is illustrated, a query natural compound is described as a Scaffold (blue), Scaffold-Fragment Connection Points (yellow), and Fragments (green). The NC-MFP of the query natural compound is produced as bit strings with the Scaffold (blue), Scaffold-Fragment Connection Points (yellow), and Fragments (green)