Scaffolds can be defined as the core of a molecule used in drug design . For this reason, scaffolds are intuitive and informative to explore SAR and Structure-Multiple Activity Relationships (SmART) of compounds data sets, identifying them supports drug design. This work explores the relationship between scaffolds and the biological activity for LasR, PqsR, and RhlR datasets. For scaffold generation, we use the definition proposed by Bemis and Murcko as implemented in RDKit [23], in which a scaffold is defined as the core structure of the compound consisting of all of its rings and connecting linkers. According to their origin molecule, scaffolds were classified into three groups: agonist, antagonist, and inactive according to their origin molecule, in all DS. A maximum common substructure analysis was done on the most frequent scaffold in each DS . The data were collected using RDKit .