Individual titration curves for 22 guests binding to βCD can be plotted together, giving a quick and easy indication of the strongest (far left) and weakest (far right) binding fragments (Fig. ). These plots give valuable information concerning the binding process and are readily interpreted. Free Energy / kcalmol 1 Fig. : Titration curves (left) for the 22 tested fragment molecules binding to βCD. Binding free energy (right) is derived from the mean K D from 1000 bootstrapped fits of the sigmoid curves and is reported in units of kcal mol -1 . The error is the standard deviation of these bootstrapped fits. Kendall Tau values detailing the quality of each fit are found in the SI.