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\begin{table}[t] |
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\centering |
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\small |
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\setlength{\tabcolsep}{4pt} |
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\caption{MAE: NB-corrected one-sided tests (outer folds, $K=5$) on dataset \texttt{freesolv}; control \texttt{polyatomic\_polyatomic}. |
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Positive $\Delta$ (competitor $-$ control) favors control. Holm controls FWER.} |
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\label{tab:freesolv_nb_compact_mae} |
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\begin{tabularx}{\linewidth}{@{}l S S S S S@{}} |
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\toprule |
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Comparison & {\(\Delta\)MAE} & {$t_{\text{NB}}$} & {CI\(_{\text{low}}\)} & {CI\(_{\text{high}}\)} & {p\(_{\text{Holm}}\)}\\ |
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\midrule |
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polyatomic\_polyatomic vs gin\_smiles & 1.671 & 19.269 & 1.430 & 1.912 & 0.000256 \\ |
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polyatomic\_polyatomic vs gcn\_selfies & 1.690 & 16.561 & 1.406 & 1.973 & 0.000428 \\ |
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polyatomic\_polyatomic vs gin\_selfies & 1.697 & 15.350 & 1.390 & 2.004 & 0.000525 \\ |
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polyatomic\_polyatomic vs gcn\_smiles & 1.629 & 11.909 & 1.249 & 2.009 & 0.00128 \\ |
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polyatomic\_polyatomic vs gat\_ecfp & 0.467 & 7.425 & 0.292 & 0.641 & 0.00702 \\ |
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polyatomic\_polyatomic vs sage\_smiles & 1.173 & 6.812 & 0.695 & 1.651 & 0.0085 \\ |
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polyatomic\_polyatomic vs gat\_smiles & 1.213 & 6.224 & 0.672 & 1.754 & 0.00931 \\ |
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polyatomic\_polyatomic vs gcn\_ecfp & 0.452 & 6.376 & 0.255 & 0.649 & 0.00931 \\ |
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polyatomic\_polyatomic vs gat\_selfies & 1.202 & 5.427 & 0.587 & 1.817 & 0.0112 \\ |
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polyatomic\_polyatomic vs sage\_ecfp & 0.428 & 4.617 & 0.171 & 0.686 & 0.0149 \\ |
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polyatomic\_polyatomic vs sage\_selfies & 0.995 & 3.864 & 0.280 & 1.709 & 0.0181 \\ |
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polyatomic\_polyatomic vs gin\_ecfp & 0.323 & 2.856 & 0.009 & 0.637 & 0.0231 \\ |
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\bottomrule |
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\end{tabularx} |
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\end{table} |
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