Applications of Similarity Searching

Reaction similarity searching differs from conventional similarity searching in that it involves calculating the similarities between pairs of reactions. 

Finally, the discussion of 3D MCS algorithms is closely related to the emerging technique of pharmacophore mapping, which seeks to provide automated tools for the identification and subsequent representation of pharmacophore models for sets of biologically related compounds, that is, the 3D chemical and spatial requirements for bioactivity (as reviewed by Bures et al.). 2 An example of work in this area is the DISCO (Distance Comparisons) program that has been developed by Martin et al.203 DISCO identifies the maximum overlap (to within allowed interatomic distance tolerances) between a set of structures, which can be either a set of different molecules or a set different 

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