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ICDM
2002
IEEE
91views Data Mining» more  ICDM 2002»
13 years 9 months ago
Mining Molecular Fragments: Finding Relevant Substructures of Molecules
We present an algorithm to find fragments in a set of molecules that help to discriminate between different classes of, for instance, activity in a drug discovery context. Instea...
Christian Borgelt, Michael R. Berthold