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

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

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

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

eigenvalue ratio of 1st direction WHIM size descriptor and sum of directional WHIM size descriptors weighted by polarizability

eigenvalue ratio of 2nd direction WHIM size descriptor and sum of directional WHIM size descriptors weighted by polarizability

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

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

eigenvalue ratio of 1st direction WHIM size descriptor and sum of directional WHIM size descriptors weighted by mass

eigenvalue ratio of 2nd direction WHIM size descriptor and sum of directional WHIM size descriptors weighted by mass