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CIIPro: a new read-across portal to fill data gaps using public large-scale chemical and biological data

CIIPro: a new read-across portal to fill data gaps using public large-scale chemical and biological data

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RUSSO, Daniel P., Marlene T. KIM, Wenyi WANG, Daniel PINOLINI, Sunil SHENDE, Judy STRICKLAND, Thomas HARTUNG, Hao ZHU, 2016. CIIPro: a new read-across portal to fill data gaps using public large-scale chemical and biological data. In: Bioinformatics. 33(3), pp. 464-466. ISSN 1367-4803. eISSN 1460-2059

@article{Russo2016CIIPr-39098, title={CIIPro: a new read-across portal to fill data gaps using public large-scale chemical and biological data}, year={2016}, doi={10.1093/bioinformatics/btw640}, number={3}, volume={33}, issn={1367-4803}, journal={Bioinformatics}, pages={464--466}, author={Russo, Daniel P. and Kim, Marlene T. and Wang, Wenyi and Pinolini, Daniel and Shende, Sunil and Strickland, Judy and Hartung, Thomas and Zhu, Hao} }

<rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bibo="http://purl.org/ontology/bibo/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:xsd="http://www.w3.org/2001/XMLSchema#" > <rdf:Description rdf:about="https://kops.uni-konstanz.de/rdf/resource/123456789/39098"> <dc:creator>Zhu, Hao</dc:creator> <dc:creator>Wang, Wenyi</dc:creator> <dc:contributor>Shende, Sunil</dc:contributor> <dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2017-06-01T08:57:50Z</dcterms:available> <dcterms:title>CIIPro: a new read-across portal to fill data gaps using public large-scale chemical and biological data</dcterms:title> <dc:creator>Russo, Daniel P.</dc:creator> <dc:creator>Pinolini, Daniel</dc:creator> <dc:contributor>Kim, Marlene T.</dc:contributor> <dc:creator>Strickland, Judy</dc:creator> <dcterms:abstract xml:lang="eng">We have developed a public Chemical In vitro-In vivo Profiling (CIIPro) portal, which can automatically extract in vitro biological data from public resources (i.e. PubChem) for user-supplied compounds. For compounds with in vivo target activity data (e.g. animal toxicity testing results), the integrated cheminformatics algorithm will optimize the extracted biological data using in vitro-in vivo correlations. The resulting in vitro biological data for target compounds can be used for read-across risk assessment of target compounds. Additionally, the CIIPro portal can identify the most similar compounds based on their optimized bioprofiles. The CIIPro portal provides new powerful assessment capabilities to the scientific community and can be easily integrated with other cheminformatics tools.</dcterms:abstract> <dc:language>eng</dc:language> <dc:contributor>Zhu, Hao</dc:contributor> <bibo:uri rdf:resource="https://kops.uni-konstanz.de/handle/123456789/39098"/> <dc:contributor>Hartung, Thomas</dc:contributor> <dcterms:issued>2016</dcterms:issued> <dc:contributor>Pinolini, Daniel</dc:contributor> <dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2017-06-01T08:57:50Z</dc:date> <dc:contributor>Strickland, Judy</dc:contributor> <dc:creator>Kim, Marlene T.</dc:creator> <dc:creator>Hartung, Thomas</dc:creator> <dc:creator>Shende, Sunil</dc:creator> <dcterms:rights rdf:resource="http://nbn-resolving.de/urn:nbn:de:bsz:352-20150914100631302-4485392-8"/> <dc:contributor>Wang, Wenyi</dc:contributor> <dc:contributor>Russo, Daniel P.</dc:contributor> </rdf:Description> </rdf:RDF>

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