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- Molecule_mining abstract "This page describes mining for molecules. Since molecules may be represented by molecular graphs this is strongly related to graph mining and structured data mining. The main problem is how to represent molecules while discriminating the data instances. One way to do this is chemical similarity metrics, which has a long tradition in the field of cheminformatics.Typical approaches to calculate chemical similarities use chemical fingerprints, but this loses the underlying information about the molecule topology. Mining the molecular graphs directlyavoids this problem. So does the inverse QSAR problem which is preferable for vectorial mappings.".
- Molecule_mining wikiPageExternalLink overview.
- Molecule_mining wikiPageExternalLink molecules.html.
- Molecule_mining wikiPageExternalLink Structured_Data_Mining.
- Molecule_mining wikiPageExternalLink molecule-mining-review-2006.html.
- Molecule_mining wikiPageExternalLink mlg07.dsi.unifi.it.
- Molecule_mining wikiPageExternalLink Rchemcpp.
- Molecule_mining wikiPageExternalLink SMSD.
- Molecule_mining wikiPageExternalLink DMaxChemistryAssistant.asp.
- Molecule_mining wikiPageExternalLink ?language=en.
- Molecule_mining wikiPageExternalLink DA-simawoer.pdf?language=en.
- Molecule_mining wikiPageExternalLink wwwkramer.in.tum.de.
- Molecule_mining wikiPageID "4851611".
- Molecule_mining wikiPageRevisionID "593793672".
- Molecule_mining hasPhotoCollection Molecule_mining.
- Molecule_mining subject Category:Cheminformatics.
- Molecule_mining subject Category:Computational_chemistry.
- Molecule_mining subject Category:Data_mining.
- Molecule_mining comment "This page describes mining for molecules. Since molecules may be represented by molecular graphs this is strongly related to graph mining and structured data mining. The main problem is how to represent molecules while discriminating the data instances.".
- Molecule_mining label "Molecule mining".
- Molecule_mining sameAs m.0cqyw2.
- Molecule_mining sameAs Q6896054.
- Molecule_mining sameAs Q6896054.
- Molecule_mining wasDerivedFrom Molecule_mining?oldid=593793672.
- Molecule_mining isPrimaryTopicOf Molecule_mining.