The shape of the molecule represented by directional WHIM shape mass descriptors

The total symmetry of the molecule represented by directional WHIM symmetry mass descriptors

The total density of the atoms accounted for by directional WHIM density mass descriptors within a molecule

1st eigenvalue of the covariance matrix weighted by MPEOE charge of the molecule atomic coordinates, which account for the molecular size

2nd eigenvalue of the covariance matrix weighted by MPEOE charge of the molecule atomic coordinates, which account for the molecular size

3rd eigenvalue of the covariance matrix weighted by MPEOE charge of the molecule atomic coordinates, which account for the molecular size

Electrostatic balance parameter on the solvent accessible surface

1st eigenvalue of the covariance matrix of the molecule atomic coordinates, which account for the molecular size

2nd eigenvalue of the covariance matrix of the molecule atomic coordinates, which account for the molecular size

3rd eigenvalue of the covariance matrix of the molecule atomic coordinates, which account for the molecular size