ABSTRACT
Other descriptors that have been used for assessing pairwise similarities in structure are at present too slow in their calculation to be of general use in most design methods, especially when one is working with fully enumerated combinatorial libraries. Examples include molecular holograms, eigenvalues (EVA) and fields (23,24); affinity profiles derived from DOCK scores (25); and autocorrelation vectors such as WHIM descriptors (26).
