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. 2019 Sep 12;5(9):1523–1531. doi: 10.1021/acscentsci.9b00476

Figure 1.

Figure 1

Schematic illustration of the syntax of BigSMILES and some of the structures that can be encoded using BigSMILES. Polymeric fragments are represented by a list of repeating units enclosed within curly brackets. Repeating units are composed of SMILES strings (represented by the red circles and blue squares in the left panel) with additional descriptors (black structures on the left panel) that give the details of the connectivity pattern between repeating units.