Fig. 17
From: LEADD: Lamarckian evolutionary algorithm for de novo drug design
Score of best found molecule as a function of the number of scored molecules. For LEADD and GB-GA each line represents a replica. VS results were shuffled 100 times and averaged to account for the effects of molecule screening order. Note that these are individual molecule scores and not population/benchmark scores and therefore don’t correspond to the values in Fig. 16.