Fig. 6
From: Systemic evolutionary chemical space exploration for drug discovery
Average docking scores of top N compounds in each generation. The unit of vina score is kcal/mol. The compound in generation 0 is the initial fragment. The vina score of reference compound is -8.86 kcal/mol. The blue line represents the average vina score of top 1000 compounds. The orange line represents the average vina score of top 100 compounds