The defining characteristic of the extended similarity indices is that they are capable of comparing any number of molecules at the same time. Remarkably, the procedure leading to this generalization is extremely simple, which contributes to the ease of implementation of these indices. The starting point is having all the molecules that are going to be analyzed in a suitable representation. For now, all the cheminformaticrelated applications of the n-ary indices have mostly relied on binary fingerprints (e.g., any type of fingerprint, including MACCS keys, RDKit fingerprints, and circular or Morgan fingerprints), but there has been extensive work on generalizing the domain of definition of these indices, so one could also use arbitrary sequence representations,[134] latent-space descriptor-based approaches,[135] or even coordinate-based 3D