Fig. 2: Fragment cluster ratio of drug fragments and pesticide fragments at different Tanimoto similarity thresholds.
From: DigFrag as a digital fragmentation method used for artificial intelligence-based drug design
A Similarity cutoff = 0.2. B Similarity cutoff = 0.4. C Similarity cutoff = 0.6. D Similarity cutoff = 0.8. Each type of fragment was obtained by the four methods (BRICS, RECAP, MacFarg and DigFrag), respectively.
