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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{lipophil}; control \texttt{polyatomic\_polyatomic}. |
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Positive $\Delta$ (competitor $-$ control) favors control. Holm controls FWER.} |
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\label{tab:lipophil_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 gcn\_selfies & 0.332 & 35.043 & 0.305 & 0.358 & 2.4e-05 \\ |
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polyatomic\_polyatomic vs gcn\_smiles & 0.338 & 32.601 & 0.309 & 0.366 & 2.9e-05 \\ |
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polyatomic\_polyatomic vs sage\_selfies & 0.219 & 15.687 & 0.180 & 0.257 & 0.000482 \\ |
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polyatomic\_polyatomic vs gin\_smiles & 0.331 & 15.062 & 0.270 & 0.392 & 0.00051 \\ |
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polyatomic\_polyatomic vs gat\_selfies & 0.301 & 14.563 & 0.244 & 0.359 & 0.000517 \\ |
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polyatomic\_polyatomic vs sage\_smiles & 0.232 & 13.138 & 0.183 & 0.281 & 0.000678 \\ |
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polyatomic\_polyatomic vs gat\_smiles & 0.293 & 11.414 & 0.222 & 0.365 & 0.00101 \\ |
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polyatomic\_polyatomic vs gcn\_ecfp & 0.132 & 10.909 & 0.098 & 0.165 & 0.00101 \\ |
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polyatomic\_polyatomic vs sage\_ecfp & 0.132 & 10.861 & 0.098 & 0.166 & 0.00101 \\ |
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polyatomic\_polyatomic vs gat\_ecfp & 0.134 & 9.321 & 0.094 & 0.174 & 0.00111 \\ |
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polyatomic\_polyatomic vs gin\_selfies & 0.317 & 7.518 & 0.200 & 0.434 & 0.00168 \\ |
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polyatomic\_polyatomic vs gin\_ecfp & 0.089 & 3.640 & 0.021 & 0.157 & 0.011 \\ |
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\bottomrule |
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\end{tabularx} |
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\end{table} |
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