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Ranks assigned to the targets of interest of the 280 CSM queries by the (a) TanimotoCombo vs ShapeTanimoto scores, (b) TanimotoCombo vs FitTverskyCombo scores, (c) ShapeTanimoto vs RefTverskyCombo scores, and (d) ShapeTanimoto vs FitTverskyCombo scores. The nine compounds for which one score produced good results while others failed are highlighted in blue.
