Figure 2. Distribution of combined similarity values.

Density plots of Tc values are shown for similarity comparison using ( a) MACCS and ( b) ECFP4. Compared were active compounds in each activity class (Act vs Act, purple), 10,000 random ZINC compounds with each activity class (Rand vs Act, maroon), and 10,000 random compounds (Rand vs Rand, green). Similarity values of all 102 activity classes were combined. Dashed vertical lines indicate the means of the distributions.