MoSS : A Program for Molecular Substructure Mininig

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2005
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GOETHALS, Bart, ed. and others. OSDM '05 : proceedings of the 1st international workshop on open source data mining ; frequent pattern mining implementations. New York: ACM Press, 2005, pp. 6-15. ISBN 1-59593-210-0
Zusammenfassung

Molecular substructure mining is currently an intensively studied research area. In this paper we present an implementation of an algorithm for finding frequent substructures in a set of molecules, which may also be used to find substructures that discriminate well between a focus and a complement group. In addition to the basic algorithm, we discuss advanced pruning techniques, demonstrating their effectiveness with experiments on two publicly available molecular data sets, and briefly mention some other extensions.

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ISO 690BORGELT, Christian, Thorsten MEINL, Michael R. BERTHOLD, 2005. MoSS : A Program for Molecular Substructure Mininig. In: GOETHALS, Bart, ed. and others. OSDM '05 : proceedings of the 1st international workshop on open source data mining ; frequent pattern mining implementations. New York: ACM Press, 2005, pp. 6-15. ISBN 1-59593-210-0
BibTex
@inproceedings{Borgelt2005Progr-5550,
  year={2005},
  title={MoSS : A Program for Molecular Substructure Mininig},
  isbn={1-59593-210-0},
  publisher={ACM Press},
  address={New York},
  booktitle={OSDM '05 : proceedings of the 1st international workshop on open source data mining ; frequent pattern mining implementations},
  pages={6--15},
  editor={Goethals, Bart},
  author={Borgelt, Christian and Meinl, Thorsten and Berthold, Michael R.}
}
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