The strategy to develop 3DDPDs borrows ingredients from other types of descriptors. Firstly the calculation of 3DDPDs starts from the collection of coordinate data for each atom, to which atomic partial charges were added to represent the electrostatic component over time (Figure ). Other MD fingerprints for small molecules have used as starting properties potential energy, solvent-accessible surface area or radius of gyration , ultimately similarly representing electrostatic and conformational changes of the molecule over time.