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SmilesTokenizer

^^^^^^^^^^^^^^^

The :code:`dc.feat.SmilesTokenizer` module inherits from the BertTokenizer class. It runs a WordPiece tokenization algorithm over SMILES strings using the tokenisation SMILES regex developed by Schwaller et. al.

The :code:`dc.feat.SmilesTokenizer` module inherits from the BertTokenizer class in transformers. It runs a WordPiece tokenization algorithm over SMILES strings using the tokenisation SMILES regex developed by Schwaller et. al.

The SmilesTokenizer employs an atom-wise tokenization strategy using the following Regex expression:

>>> SMI_REGEX_PATTERN = "(\[[^\]]+]|Br?|Cl?|N|O|S|P|F|I|b|c|n|o|s|p|\(|\)|\.

|¼|#||\+|\\\\\/|:||@|\?|>|\*|\$|\%[0–9]{2}|[0–9])"

To use, please install the transformers package using the following pip command:

>>> pip install transformers

References: