1. A method of generating a descriptor, said descriptor being a string of interaction values V i of a three-dimensional object represented by a set of coordinates, and said object having one or more properties at chosen coordinates, each property represented by a value Vb, said method comprising the steps of: (i). determining a three-dimensional configuration of the object, including said set of coordinates, by using a computing device to perform a computer simulation of the object, by using means for performing a laboratory analysis of the object, or by using a combination of said computing device for performing a computer simulation of the object and said means for performing a laboratory analysis of the object, (ii). enclosing entirely said three-dimensional object in a cage of a set of one or more cages, each said cage having or more interaction points, each said interaction point having one or more properties represented by value Vc, (iii). for each property and for each cage of said set of one or more cages, while keeping said three-dimensional object entirely enclosed in said cage by varying one or more dimensions of said cage, minimizing the interaction value V i for said property resulting from the interaction between said property at said chosen coordinates of said three dimensional object and said property at said interaction points of said cage by changing the relative orientation between the three-dimensional object and said cage, and (iv). assigning each of the obtained minimized interaction values V i to a distinct position in said descriptor.