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loael-paper
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Data and experiments for the manuscript https://doi.org/10.3389/fphar.2018.00413
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data
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LOAEL_mg_corrected_smiles_mmol.csv
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LOAEL_mg_corrected_smiles_mmol.json
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SMARTS_InteLigand.txt
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functional-groups-reduced.csv
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functional-groups-reduced4R.csv
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functional-groups.csv
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mazzatorta.csv
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mazzatorta.json
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median-correlation.csv
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swiss.csv
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swiss.json
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swissRat_chron_LOAEL_mmol.csv
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swissRat_chron_LOAEL_mmol.json
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test.csv
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test.json
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training-cv-0.csv
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training-cv-0.id
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training-cv-1.csv
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training-cv-1.id
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training-cv-2.csv
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training-cv-2.id
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training-test-predictions.csv
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training-test-predictions.id
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training.csv
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training.json
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