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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.