Datasets:
Say that the fs rule errs toward removing more
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README.md
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@@ -168,6 +168,9 @@ pinned revisions. It needs `rdkit` and `pandas`.
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high: the upstream corpus covers few distinct conditions. Each removed row's
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correct mechanism description appears verbatim in the test split, so the cut
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is warranted even though no molecule is involved.
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- Reaction subtasks are keyed on the reaction the question names, not on every
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molecule it mentions. Common solvents and reagents recur throughout both
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splits and keying on them would empty the training set for no gain.
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| 168 |
high: the upstream corpus covers few distinct conditions. Each removed row's
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| 169 |
correct mechanism description appears verbatim in the test split, so the cut
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is warranted even though no molecule is involved.
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- `fs` is keyed on the reactants whichever of its two questions a row asks, so a
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byproduct training row that shares reactants with a major-product test row is
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removed too. That errs toward removing more, not less.
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- Reaction subtasks are keyed on the reaction the question names, not on every
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molecule it mentions. Common solvents and reagents recur throughout both
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splits and keying on them would empty the training set for no gain.
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