Datasets:
yzimmermann
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Update README.md
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README.md
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## Dataset Structure
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<!-- This section provides a description of the dataset fields, and additional information about the dataset structure such as criteria used to create the splits, relationships between data points, etc. -->
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The first two columns contain: "Canonicalized SMILES" as canonicalized by RDKit and the "Canonicalized Flavor " (sweet, sour, umami, bitter, undefined).
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"Original Labels": Some databases were labelled by professional tasters or contain labels that had to be canonicalized into one of the four flavor categories defined by us (e.g. "honey" --> "sweet"). These original labels are given for data transparency.
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"Source": which database this data point derives from
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PubChem descriptors: Where available, the dataset was enriched with descriptors accessible through the PubChem API.
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## Dataset Structure
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<!-- This section provides a description of the dataset fields, and additional information about the dataset structure such as criteria used to create the splits, relationships between data points, etc. -->
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The first two columns contain: "Canonicalized SMILES" as canonicalized by RDKit and the "Canonicalized Flavor " (sweet, sour, umami, bitter, undefined).
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"Source": which database this data point derives from
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PubChem descriptors: Where available, the dataset was enriched with descriptors accessible through the PubChem API.
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