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Table 5 Names of components, description of components and example of token strings

From: Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition

Name

Analysed components

Example

Full

Full token string

BOS O=C=O EOS PAD PAD

SMILES

Full SMILES string

O=C=O

Atom

Atom tokens ordered canonically

COO

Alerts

Atom tokens of structural alerts

CO

  1. Described are four names with corresponding sections of the tokens analysed in statistical analyses. Most analyses use atom tokens or alerts but are relative to the full tokenized string
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Journal of Cheminformatics

ISSN: 1758-2946

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