Large scale mining of molecular fragments with wildcards

Zitieren

Dateien zu dieser Ressource

Prüfsumme: MD5:69bf0853b30a8d5265c6e5ab8f797dcf

HOFER, Heiko, Christian BORGELT, Michael R. BERTHOLD, 2004. Large scale mining of molecular fragments with wildcards. In: Intelligent Data Analysis. 8(5), pp. 495-504. ISSN 1088-467X. eISSN 1571-4128

@article{Hofer2004Large-5517, title={Large scale mining of molecular fragments with wildcards}, year={2004}, number={5}, volume={8}, issn={1088-467X}, journal={Intelligent Data Analysis}, pages={495--504}, author={Hofer, Heiko and Borgelt, Christian and Berthold, Michael R.} }

<rdf:RDF xmlns:dcterms="http://purl.org/dc/terms/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bibo="http://purl.org/ontology/bibo/" xmlns:dspace="http://digital-repositories.org/ontologies/dspace/0.1.0#" xmlns:foaf="http://xmlns.com/foaf/0.1/" xmlns:void="http://rdfs.org/ns/void#" xmlns:xsd="http://www.w3.org/2001/XMLSchema#" > <rdf:Description rdf:about="https://kops.uni-konstanz.de/rdf/resource/123456789/5517"> <dc:format>application/pdf</dc:format> <dc:creator>Borgelt, Christian</dc:creator> <dcterms:issued>2004</dcterms:issued> <dc:rights>deposit-license</dc:rights> <dspace:hasBitstream rdf:resource="https://kops.uni-konstanz.de/bitstream/123456789/5517/1/Large_scale_mining_of_molecular_fragments_with_wildcards.pdf"/> <dc:contributor>Borgelt, Christian</dc:contributor> <dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2011-03-24T15:56:10Z</dc:date> <void:sparqlEndpoint rdf:resource="http://localhost/fuseki/dspace/sparql"/> <dcterms:hasPart rdf:resource="https://kops.uni-konstanz.de/bitstream/123456789/5517/1/Large_scale_mining_of_molecular_fragments_with_wildcards.pdf"/> <dcterms:abstract xml:lang="eng">The main task of drug discovery is to find novel bioactive molecules, i.e., chemical compounds that, for example, protect human cells against a virus. One way to support solving this task is to analyze a database of known and tested molecules with the aim to build a classifier that predicts whether a novel molecule will be active or inactive, so that future chemical tests can be focused on the most promising candidates. In [1] an algorithm for constructing such a classifier was proposed that uses molecular fragments to discriminate between active and inactive molecules. In this paper we present two extensions of this approach: A special treatment of rings and a method that finds fragments with wildcards based on chemical expert knowledge.</dcterms:abstract> <dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2011-03-24T15:56:10Z</dcterms:available> <dcterms:title>Large scale mining of molecular fragments with wildcards</dcterms:title> <dc:creator>Hofer, Heiko</dc:creator> <bibo:uri rdf:resource="http://kops.uni-konstanz.de/handle/123456789/5517"/> <dc:contributor>Hofer, Heiko</dc:contributor> <dc:language>deu</dc:language> <dcterms:isPartOf rdf:resource="https://kops.uni-konstanz.de/rdf/resource/123456789/36"/> <dspace:isPartOfCollection rdf:resource="https://kops.uni-konstanz.de/rdf/resource/123456789/36"/> <foaf:homepage rdf:resource="http://localhost:8080/jspui"/> <dc:contributor>Berthold, Michael R.</dc:contributor> <dcterms:rights rdf:resource="https://creativecommons.org/licenses/by-nc-nd/2.0/legalcode"/> <dc:creator>Berthold, Michael R.</dc:creator> <dcterms:bibliographicCitation>First publ. in: Intelligent Data Analysis 8 (2004), 5, pp. 495-504</dcterms:bibliographicCitation> </rdf:Description> </rdf:RDF>

Dateiabrufe seit 01.10.2014 (Informationen über die Zugriffsstatistik)

Large_scale_mining_of_molecular_fragments_with_wildcards.pdf 85

Das Dokument erscheint in:

deposit-license Solange nicht anders angezeigt, wird die Lizenz wie folgt beschrieben: deposit-license

KOPS Suche


Stöbern

Mein Benutzerkonto