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Software SubMat |
Substructure searches in chemistry and related tasks |
Laboratory for ChemoMetrics [web]
c/o Vienna University of Technology (Austria)
[SubMat papers] [SubMat start page] 2021-09-10
Applications
Substructure Search (binary substructure descriptors)
Automorphism (topological equivalent atoms and bonds, atom and bond orbits, complete automorphism mappings of chemical structure graphs)
Maximum Common Substructure (MCS)