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Dataset Card for ESol (Estimated Solubility) Dataset
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Dataset Summary
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The ESOL dataset is designed for estimating the aqueous solubility
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of chemical compounds directly from their molecular structure.
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This dataset includes 2,874 experimentally measured solubility
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Dataset Card for ESol (Estimated Solubility) Dataset
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configs:
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- config_name: default
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data_files:
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- split: train
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path: 'train_data.csv'
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- split: validation
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path: 'valid_data.csv'
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- split: test
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path: 'test_data.csv'
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Dataset Summary
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The ESOL dataset is designed for estimating the aqueous solubility
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of chemical compounds directly from their molecular structure.
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This dataset includes 2,874 experimentally measured solubility
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