3rd eigenvalue of the covariance matrix of the molecule atomic coordinates, which account for the molecular size
The shape of the molecule represented by directional WHIM shape unweighted descriptors
eigenvalue ratio of 1st direction WHIM size descriptor and sum of directional WHIM size descriptors using eigenvalue of the covariance matrix of the molecule atomic coordinates
The total symmetry of the molecule represented by directional WHIM symmetry unweighted descriptors
eigenvalue ratio of 2nd direction WHIM size descriptor and sum of directional WHIM size descriptors using eigenvalue of the covariance matrix of the molecule atomic coordinates
The total density of the atoms accounted for by directional WHIM density unweighted descriptors within a molecule
The quadrupole moment zz component about center of mass (MPEOE charge)
Solvent accessible surface area over which Vs is positive
Maximum electrostatic potential at the VDW surface
Solvent accessible surface area over which Vs is negative