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README.md
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# Dataset Card for "USPTO-30K"
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[More Information needed](https://github.com/huggingface/datasets/blob/main/CONTRIBUTING.md#how-to-contribute-to-the-dataset-cards)
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# Dataset Card for "USPTO-30K"
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Existing benchmarks for Optical Chemical Structure Recognition have some limitations.
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Being created using only a few documents, they contain batches of very similar molecules. For example in a patent, a molecule could typically be displayed together with all the substituent of one particular substructure, resulting in large batches of almost identical molecules.
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Additionally, the existing sets contain molecules of different kinds, including superatom groups and various markush features, which should be evaluated independently.
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In practice, it is important to delimit on which types of molecules models can be applied.
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We introduce USPTO-30K, a large-scale benchmark dataset of annotated molecule images, which overcomes these limitations.
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It is created using the pairs of images and MolFiles by the United States Patent and Trademark Office.
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Each molecule was independently selected among all the available documents from 2001 to 2020.
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The set consists of three subsets to decouple the study of clean molecules, molecules with abbreviations and large molecules.
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- USPTO-10K contains 10,000 clean molecules, i.e. without any abbreviated groups.
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- USPTO-10K-abb contains 10,000 molecules with superatom groups.
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- USPTO-10K-L contains 10,000 clean molecules with more than 70 atoms.
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[More Information needed](https://github.com/huggingface/datasets/blob/main/CONTRIBUTING.md#how-to-contribute-to-the-dataset-cards)
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