Figure 7.

Measuring and interpreting the similarity between the tasks of estimating the bio-activities of molecules against cytochrome P450 isozymes

(A) The task similarity tree constructed using the similarity estimated by MoTSE.

(B-F) Five active patterns highlighted by our attribution method. The filled or hollow circles below a functional group represent whether the corresponding functional group is an active pattern for individual isozymes 1A2, 2C9, 2C19, 2D6 and 3A4 or not. The functional groups are shown on the left, while the molecules with the active patterns are shown on the right.