Figure 1: Structural characteristics of the predicted active compounds and cancer drugs.

(A) Scatter plot of molecular weight against ALogP. (B) Histogram plot of the number of rings. (C) Histogram plot of the number of aromatic rings. (D) Histogram plot of the number of H-bond acceptors. (E) Histogram plot of the number of H-bonds donors. (F) Histogram plot of the number of rotatable bonds. (G) The bar plot of the top 20 common fragments and their frequency (F1-F20). In all plot, the cancer drugs and predicted active compounds were colored by blue and red, respectively.