Fig. 4From: Chemoinformatics-based enumeration of chemical libraries: a tutorialWorkflow for the design of lactams. a Read structures of building blocks; b Building blocks filter: the structures were curated, filtered according to the ‘rule of three’, and selected for the presence of appropriate functional groups; c Coupling phase: application of the amide bond formation reaction between carboxylic acids and primary or secondary amines; d Pairing phase: use of the reactions as described in Table 8. Finally, the compounds were separated into macrocycles and not macrocyclesBack to article page