Skip to main content

Table 2 Volume statistics

From: PubChem3D: Shape compatibility filtering using molecular shape quadrupoles

  Minimum Median Mean Maximum Standard Deviation
V an 13.3 286.9 286.5 894.1 ± 76.1
V mp 13.3 511.2 510.3 1,165.2 ± 141.5
V so 12.8 1,082.9 1,081.9 2,517.6 ± 315.9
  1. Distribution of the analytic volume (V an ), monopole volume (V mp ), and self-overlap volume (V so ), in units of Å3, for the 17.1 million molecules considered from the PubChem Compound database.