2 search results - page 1 / 1 » Mining Molecular Fragments: Finding Relevant Substructures o... |
ICDM
2002
IEEE
15 years 3 months ago
2002
IEEE
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...
ECEASST
2006
14 years 10 months ago
2006
Mining for frequent subgraphs in a graph database has become a popular topic in the last years. Algorithms to solve this problem are used in chemoinformatics to find common molecul...