Skip to main content
. 2022 Jan 15;14:3. doi: 10.1186/s13321-022-00582-y

Fig. 11.

Fig. 11

LEADD optimization power comparison between different combinations of atom typing and fragmentation schemes. Benchmark scores range between 0 and 1, with higher scores being better. Boxes represent interquartile ranges (IQR), the black line within them medians and the whiskers Q ± 1.5IQR. Data beyond the whiskers are considered outliers and represented as dots. Colored dots represent maximum benchmark scores