Macs in Chemistry

Insanely Great Science


LibraryMCS (from ChemAxon) clusters a set of chemical structures on a structural basis. Structures that share a common substructure are clustered together. The common substructure is identified by the clustering program, and it is always the largest one among all substructures found in the structure set. Such substructure is called the Maximum Common Substructure (MCS). No predefined fragments are applied in finding the MCS.
blog comments powered by Disqus