4.1.1. Structure-Based Similarity Analysis

Each target structure was inputted into the search engine of the ChEMBL database [78] and a similarity search was performed using a 50% threshold. The output structures were extracted together with any associated data of biological activity on bacteria. The DataWarrior v5.2.1 software (Actelion Pharmaceuticals Ltd., Allschwil, Switzerland, https: //openmolecules.org/) [79] was used to filter the duplicate structures and to calculate the clogP values.
