Fig. 1From: Chemoinformatics-based enumeration of chemical libraries: a tutorialSMILES, SMARTS, InChI and InChIKey concepts. Examples for the illustration of basic SMILES, SMARTS, InChI, and InChIKey syntax rules are provided. SMARTS representations were made in SMARTviewer [35]. InChI and InChIKey identifiers are displayed for caffeine and 1-[(E)-2-fluorovinyl]-3-nitrobenzeneBack to article page