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Table 4 Comparison of different generation strategies

From: CReM: chemically reasonable mutations framework for structure generation

Fragment database & fragment occurrenceWins (by lower mean SAScore)Wins (by lower mean SCScore)Wins (by higher mean novelty)Wins (by higher mean diversity)Mean/median number of compounds
ChEMBL & 029133573477812/3800
ChEMBL & 10445247695/323
ChEMBL & 10076171798/66
ChEMBL & 10002291690419/15
SCScore ≤ 3.5 & 0111655615331/2540
SCScore ≤ 3 & 0121929244031/1898
SCScore ≤ 2.5 & 030561692473/1122
SCScore ≤ 2 & 0692054011040/430
Total number of compounds:500500500500