Natural product-likeness score revisited: an open-source, open-data implementation

Background Natural product-likeness of a molecule, i.e. similarity of this molecule to the structure spacecovered by natural products, is a useful criterion in screening compound libraries and in designing new lead compounds. A closed source implementation of a natural product-likeness score, that finds its application in virtual screening, library design and compound selection, has been previously reported by one of us. In this note, we report an open-source and open-datare-implementation of this scoring system, illustrate its efficiency in ranking small molecules for natural productlikeness and discuss its potential applications.