Fig. 5.

Properties of drugs and drug fragments. a Heat map illustrating marketed drug-compound distances of 2,000 drug fragments selected randomly from a Maybridge library (the plot looks very similar for 15,000 fragments). b Heat map illustrating metabolite-compound distances of 2,000 drug fragments selected randomly from a Maybridge library (the plot looks very similar for 15,000 fragments). c Cumulative plots of nearest marketed drug-compound or marketed drug–fragment Tanimoto distances for various libraries. d Distribution of molecular weights for the various datasets used (Color figure online)