Table 2 Summary of structure derived encodings

Quantitative structure-activity relationship (QSAR)

describes amino acids sequences by their chemical properties, molecular characteristics and structure

Density: o

Information: +

[78,79,80,81,82,83,84,85]

z-Descriptors

General Structure

protein structure is described by means of their total 3D shape, secondary structure, solvent accessibility, aggregation tendency, contact number, residue depth

Density: +

Information: +

[86,87,88, 97]

Electrostatic Hull

wraps superimposed shapes of the proteins sub-structure

Density: o

Information: +

[17, 89, 90]

Physicochemical Properties

Spheres

incorporates structural variations as consequence of sequential rearrangements

Density: o

Information: +

[91]

Physicochemical Properties

Distance Distribution

distribution of euclidean distances between each atom type

Density: o:

Information: +

[92]

Delaunay Triangulation

encodes the complete protein shape by finding the optimal edges between representative atoms

Density: o

Information: +

[93, 94]