Figure 2From: Fast 3D shape screening of large chemical databases through alignment-recyclingDistribution of PubChem single component compounds. A) According to number of heavy atoms. B) According to number of rotatable bonds. Yellow bars represent the range of compounds included in the dataset. For a better scaling of the histograms, covalent units above 70 heavy atoms and above 30 rotatable bounds were excluded from the plots.Back to article page