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An implementation in Keras of the algorithm discussed in Hirohara, M., Saito, Y., Koda, Y. et al. Convolutional neural network based on SMILES representation of compounds for detecting chemical motif. BMC Bioinformatics 19, 526 (2018). https://doi.org/10.1186/s12859-018-2523-5

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SCFP

An implementation in Keras of the algorithm discussed in Hirohara, M., Saito, Y., Koda, Y. et al. Convolutional neural network based on SMILES representation of compounds for detecting chemical motif. BMC Bioinformatics 19, 526 (2018). https://doi.org/10.1186/s12859-018-2523-5

The code assumes the source code from https://www.dna.bio.keio.ac.jp/smiles/ to be downloaded to the folder "smiles_dnn/". Maybe an empty "__init__.py" is also needed.

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An implementation in Keras of the algorithm discussed in Hirohara, M., Saito, Y., Koda, Y. et al. Convolutional neural network based on SMILES representation of compounds for detecting chemical motif. BMC Bioinformatics 19, 526 (2018). https://doi.org/10.1186/s12859-018-2523-5

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