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Fig. 1 | Journal of Cheminformatics

Fig. 1

From: Exploring the GDB-13 chemical space using deep generative models

Fig. 1

Representation as an Euler diagram of the domain of a RNN trained with SMILES strings. The sets are the following, ordered by their size: All possible strings generated by an RNN (red), all possible valid SMILES (yellow), all possible SMILES of GDB-13 molecules (light blue), all canonical SMILES of GDB-13 molecules (dark blue) and the training set (black). Note that the relative sizes of the different subsets do not reflect their true size

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