Revised molecular descriptors

Commonly used descriptors with customized specifications such as scope, distance, elemental or other properties.

Revised autocorrelation descriptors

Molecular descriptors that are based on a molecule's topology. Atomic properties used include but are not limited to: atomic number/atomic mass, covalent/van der Waals radius, electronegativity, polarizability, coordination number.

However, properties provided by other calculations such as NBO can also be included.

Moreau-Broto styled autocorrelation

Inspired by https://doi.org/10.1021/acs.jpca.7b08750.

Moran styled and Geary styled autocorrelation

Inspired by conventional autocorrelation descriptors.

Radial distribution functions