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. 2017 Dec 13;37(1-2):1700123. doi: 10.1002/minf.201700123

Figure 5.

Figure 5

Different representations of 4‐(bromomethyl)‐1H‐pyrazole. Exemplary generation of the one‐hot representation derived from the SMILES. For simplicity only a reduced vocabulary is shown here, while in practice a larger vocabulary that covers all tokens present in the training data is used.