Chemical data mining of the NCI human tumor cell line database.
Identifieur interne : 000036 ( Ncbi/Merge ); précédent : 000035; suivant : 000037Chemical data mining of the NCI human tumor cell line database.
Auteurs : Huijun Wang [États-Unis] ; Jonathan Klinginsmith ; Xiao Dong ; Adam C. Lee ; Rajarshi Guha ; Yuqing Wu ; Gordon M. Crippen ; David J. WildSource :
- Journal of chemical information and modeling [ 1549-9596 ]
Descripteurs français
- Wicri :
- geographic : États-Unis.
English descriptors
- KwdEn :
- Antineoplastic Agents (chemistry), Antineoplastic Agents (pharmacology), Cell Line, Tumor, Cell Proliferation (drug effects), Databases, Factual, Drug Evaluation, Preclinical, Gene Expression Regulation, Neoplastic (drug effects), Humans, Molecular Structure, National Cancer Institute (U.S.), Neoplasms (pathology), United States.
- MESH :
- chemical , chemistry : Antineoplastic Agents.
- chemical , pharmacology : Antineoplastic Agents.
- geographic : United States.
- drug effects : Cell Proliferation, Gene Expression Regulation, Neoplastic.
- pathology : Neoplasms.
- Cell Line, Tumor, Databases, Factual, Drug Evaluation, Preclinical, Humans, Molecular Structure, National Cancer Institute (U.S.).
Abstract
The NCI Developmental Therapeutics Program Human Tumor cell line data set is a publicly available database that contains cellular assay screening data for over 40 000 compounds tested in 60 human tumor cell lines. The database also contains microarray assay gene expression data for the cell lines, and so it provides an excellent information resource particularly for testing data mining methods that bridge chemical, biological, and genomic information. In this paper we describe a formal knowledge discovery approach to characterizing and data mining this set and report the results of some of our initial experiments in mining the set from a chemoinformatics perspective.
DOI: 10.1021/ci700141x
PubMed: 17915856
Links toward previous steps (curation, corpus...)
- to stream PubMed, to step Corpus: 000080
- to stream PubMed, to step Curation: 000080
- to stream PubMed, to step Checkpoint: 000080
Links to Exploration step
pubmed:17915856Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Chemical data mining of the NCI human tumor cell line database.</title><author><name sortKey="Wang, Huijun" sort="Wang, Huijun" uniqKey="Wang H" first="Huijun" last="Wang">Huijun Wang</name><affiliation wicri:level="2"><nlm:affiliation>Indiana University School of Informatics and Chemical Informatics, and Cyberinfrastructure Collaboratory, 901 East Tenth Street, Bloomington, IN 47408, USA.</nlm:affiliation><country xml:lang="fr">États-Unis</country><wicri:regionArea>Indiana University School of Informatics and Chemical Informatics, and Cyberinfrastructure Collaboratory, 901 East Tenth Street, Bloomington, IN 47408</wicri:regionArea><placeName><region type="state">Indiana</region></placeName></affiliation></author><author><name sortKey="Klinginsmith, Jonathan" sort="Klinginsmith, Jonathan" uniqKey="Klinginsmith J" first="Jonathan" last="Klinginsmith">Jonathan Klinginsmith</name></author><author><name sortKey="Dong, Xiao" sort="Dong, Xiao" uniqKey="Dong X" first="Xiao" last="Dong">Xiao Dong</name></author><author><name sortKey="Lee, Adam C" sort="Lee, Adam C" uniqKey="Lee A" first="Adam C" last="Lee">Adam C. Lee</name></author><author><name sortKey="Guha, Rajarshi" sort="Guha, Rajarshi" uniqKey="Guha R" first="Rajarshi" last="Guha">Rajarshi Guha</name></author><author><name sortKey="Wu, Yuqing" sort="Wu, Yuqing" uniqKey="Wu Y" first="Yuqing" last="Wu">Yuqing Wu</name></author><author><name sortKey="Crippen, Gordon M" sort="Crippen, Gordon M" uniqKey="Crippen G" first="Gordon M" last="Crippen">Gordon M. Crippen</name></author><author><name sortKey="Wild, David J" sort="Wild, David J" uniqKey="Wild D" first="David J" last="Wild">David J. Wild</name></author></titleStmt><publicationStmt><idno type="wicri:source">PubMed</idno><date when="????"><PubDate><MedlineDate>2007 Nov-Dec</MedlineDate></PubDate></date><idno type="doi">10.1021/ci700141x</idno><idno type="RBID">pubmed:17915856</idno><idno type="pmid">17915856</idno><idno type="wicri:Area/PubMed/Corpus">000080</idno><idno type="wicri:Area/PubMed/Curation">000080</idno><idno type="wicri:Area/PubMed/Checkpoint">000080</idno><idno type="wicri:Area/Ncbi/Merge">000036</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">Chemical data mining of the NCI human tumor cell line database.</title><author><name sortKey="Wang, Huijun" sort="Wang, Huijun" uniqKey="Wang H" first="Huijun" last="Wang">Huijun Wang</name><affiliation wicri:level="2"><nlm:affiliation>Indiana University School of Informatics and Chemical Informatics, and Cyberinfrastructure Collaboratory, 901 East Tenth Street, Bloomington, IN 47408, USA.</nlm:affiliation><country xml:lang="fr">États-Unis</country><wicri:regionArea>Indiana University School of Informatics and Chemical Informatics, and Cyberinfrastructure Collaboratory, 901 East Tenth Street, Bloomington, IN 47408</wicri:regionArea><placeName><region type="state">Indiana</region></placeName></affiliation></author><author><name sortKey="Klinginsmith, Jonathan" sort="Klinginsmith, Jonathan" uniqKey="Klinginsmith J" first="Jonathan" last="Klinginsmith">Jonathan Klinginsmith</name></author><author><name sortKey="Dong, Xiao" sort="Dong, Xiao" uniqKey="Dong X" first="Xiao" last="Dong">Xiao Dong</name></author><author><name sortKey="Lee, Adam C" sort="Lee, Adam C" uniqKey="Lee A" first="Adam C" last="Lee">Adam C. Lee</name></author><author><name sortKey="Guha, Rajarshi" sort="Guha, Rajarshi" uniqKey="Guha R" first="Rajarshi" last="Guha">Rajarshi Guha</name></author><author><name sortKey="Wu, Yuqing" sort="Wu, Yuqing" uniqKey="Wu Y" first="Yuqing" last="Wu">Yuqing Wu</name></author><author><name sortKey="Crippen, Gordon M" sort="Crippen, Gordon M" uniqKey="Crippen G" first="Gordon M" last="Crippen">Gordon M. Crippen</name></author><author><name sortKey="Wild, David J" sort="Wild, David J" uniqKey="Wild D" first="David J" last="Wild">David J. Wild</name></author></analytic><series><title level="j">Journal of chemical information and modeling</title><idno type="ISSN">1549-9596</idno></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Antineoplastic Agents (chemistry)</term><term>Antineoplastic Agents (pharmacology)</term><term>Cell Line, Tumor</term><term>Cell Proliferation (drug effects)</term><term>Databases, Factual</term><term>Drug Evaluation, Preclinical</term><term>Gene Expression Regulation, Neoplastic (drug effects)</term><term>Humans</term><term>Molecular Structure</term><term>National Cancer Institute (U.S.)</term><term>Neoplasms (pathology)</term><term>United States</term></keywords><keywords scheme="MESH" type="chemical" qualifier="chemistry" xml:lang="en"><term>Antineoplastic Agents</term></keywords><keywords scheme="MESH" type="chemical" qualifier="pharmacology" xml:lang="en"><term>Antineoplastic Agents</term></keywords><keywords scheme="MESH" type="geographic" xml:lang="en"><term>United States</term></keywords><keywords scheme="MESH" qualifier="drug effects" xml:lang="en"><term>Cell Proliferation</term><term>Gene Expression Regulation, Neoplastic</term></keywords><keywords scheme="MESH" qualifier="pathology" xml:lang="en"><term>Neoplasms</term></keywords><keywords scheme="MESH" xml:lang="en"><term>Cell Line, Tumor</term><term>Databases, Factual</term><term>Drug Evaluation, Preclinical</term><term>Humans</term><term>Molecular Structure</term><term>National Cancer Institute (U.S.)</term></keywords><keywords scheme="Wicri" type="geographic" xml:lang="fr"><term>États-Unis</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The NCI Developmental Therapeutics Program Human Tumor cell line data set is a publicly available database that contains cellular assay screening data for over 40 000 compounds tested in 60 human tumor cell lines. The database also contains microarray assay gene expression data for the cell lines, and so it provides an excellent information resource particularly for testing data mining methods that bridge chemical, biological, and genomic information. In this paper we describe a formal knowledge discovery approach to characterizing and data mining this set and report the results of some of our initial experiments in mining the set from a chemoinformatics perspective.</div></front></TEI><pubmed><MedlineCitation Owner="NLM" Status="MEDLINE"><PMID Version="1">17915856</PMID><DateCreated><Year>2007</Year><Month>11</Month><Day>26</Day></DateCreated><DateCompleted><Year>2008</Year><Month>02</Month><Day>15</Day></DateCompleted><Article PubModel="Print-Electronic"><Journal><ISSN IssnType="Print">1549-9596</ISSN><JournalIssue CitedMedium="Print"><Volume>47</Volume><Issue>6</Issue><PubDate><MedlineDate>2007 Nov-Dec</MedlineDate></PubDate></JournalIssue><Title>Journal of chemical information and modeling</Title><ISOAbbreviation>J Chem Inf Model</ISOAbbreviation></Journal><ArticleTitle>Chemical data mining of the NCI human tumor cell line database.</ArticleTitle><Pagination><MedlinePgn>2063-76</MedlinePgn></Pagination><Abstract><AbstractText>The NCI Developmental Therapeutics Program Human Tumor cell line data set is a publicly available database that contains cellular assay screening data for over 40 000 compounds tested in 60 human tumor cell lines. The database also contains microarray assay gene expression data for the cell lines, and so it provides an excellent information resource particularly for testing data mining methods that bridge chemical, biological, and genomic information. In this paper we describe a formal knowledge discovery approach to characterizing and data mining this set and report the results of some of our initial experiments in mining the set from a chemoinformatics perspective.</AbstractText></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Wang</LastName><ForeName>Huijun</ForeName><Initials>H</Initials><AffiliationInfo><Affiliation>Indiana University School of Informatics and Chemical Informatics, and Cyberinfrastructure Collaboratory, 901 East Tenth Street, Bloomington, IN 47408, USA.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Klinginsmith</LastName><ForeName>Jonathan</ForeName><Initials>J</Initials></Author><Author ValidYN="Y"><LastName>Dong</LastName><ForeName>Xiao</ForeName><Initials>X</Initials></Author><Author ValidYN="Y"><LastName>Lee</LastName><ForeName>Adam C</ForeName><Initials>AC</Initials></Author><Author ValidYN="Y"><LastName>Guha</LastName><ForeName>Rajarshi</ForeName><Initials>R</Initials></Author><Author ValidYN="Y"><LastName>Wu</LastName><ForeName>Yuqing</ForeName><Initials>Y</Initials></Author><Author ValidYN="Y"><LastName>Crippen</LastName><ForeName>Gordon M</ForeName><Initials>GM</Initials></Author><Author ValidYN="Y"><LastName>Wild</LastName><ForeName>David J</ForeName><Initials>DJ</Initials></Author></AuthorList><Language>eng</Language><GrantList CompleteYN="Y"><Grant><GrantID>P20 HG 003895-02</GrantID><Acronym>HG</Acronym><Agency>NHGRI NIH HHS</Agency><Country>United States</Country></Grant></GrantList><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType><PublicationType UI="D052061">Research Support, N.I.H., Extramural</PublicationType></PublicationTypeList><ArticleDate DateType="Electronic"><Year>2007</Year><Month>10</Month><Day>04</Day></ArticleDate></Article><MedlineJournalInfo><Country>United States</Country><MedlineTA>J Chem Inf Model</MedlineTA><NlmUniqueID>101230060</NlmUniqueID><ISSNLinking>1549-9596</ISSNLinking></MedlineJournalInfo><ChemicalList><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D000970">Antineoplastic Agents</NameOfSubstance></Chemical></ChemicalList><CitationSubset>IM</CitationSubset><MeshHeadingList><MeshHeading><DescriptorName MajorTopicYN="N" UI="D000970">Antineoplastic Agents</DescriptorName><QualifierName MajorTopicYN="N" UI="Q000737">chemistry</QualifierName><QualifierName MajorTopicYN="N" UI="Q000494">pharmacology</QualifierName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N" UI="D045744">Cell Line, Tumor</DescriptorName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N" UI="D049109">Cell Proliferation</DescriptorName><QualifierName MajorTopicYN="N" UI="Q000187">drug effects</QualifierName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="Y" UI="D016208">Databases, Factual</DescriptorName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N" UI="D004353">Drug Evaluation, Preclinical</DescriptorName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N" UI="D015972">Gene Expression Regulation, Neoplastic</DescriptorName><QualifierName MajorTopicYN="N" UI="Q000187">drug effects</QualifierName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N" UI="D006801">Humans</DescriptorName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N" UI="D015394">Molecular Structure</DescriptorName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N" UI="D054547">National Cancer Institute (U.S.)</DescriptorName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N" UI="D009369">Neoplasms</DescriptorName><QualifierName MajorTopicYN="N" UI="Q000473">pathology</QualifierName></MeshHeading><MeshHeading><DescriptorName MajorTopicYN="N" Type="Geographic" UI="D014481">United States</DescriptorName></MeshHeading></MeshHeadingList></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="aheadofprint"><Year>2007</Year><Month>10</Month><Day>04</Day></PubMedPubDate><PubMedPubDate PubStatus="pubmed"><Year>2007</Year><Month>10</Month><Day>6</Day><Hour>9</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>2008</Year><Month>2</Month><Day>19</Day><Hour>9</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>2007</Year><Month>10</Month><Day>6</Day><Hour>9</Hour><Minute>0</Minute></PubMedPubDate></History><PublicationStatus>ppublish</PublicationStatus><ArticleIdList><ArticleId IdType="doi">10.1021/ci700141x</ArticleId><ArticleId IdType="pubmed">17915856</ArticleId></ArticleIdList></PubmedData></pubmed><affiliations><list><country><li>États-Unis</li></country><region><li>Indiana</li></region></list><tree><noCountry><name sortKey="Crippen, Gordon M" sort="Crippen, Gordon M" uniqKey="Crippen G" first="Gordon M" last="Crippen">Gordon M. Crippen</name><name sortKey="Dong, Xiao" sort="Dong, Xiao" uniqKey="Dong X" first="Xiao" last="Dong">Xiao Dong</name><name sortKey="Guha, Rajarshi" sort="Guha, Rajarshi" uniqKey="Guha R" first="Rajarshi" last="Guha">Rajarshi Guha</name><name sortKey="Klinginsmith, Jonathan" sort="Klinginsmith, Jonathan" uniqKey="Klinginsmith J" first="Jonathan" last="Klinginsmith">Jonathan Klinginsmith</name><name sortKey="Lee, Adam C" sort="Lee, Adam C" uniqKey="Lee A" first="Adam C" last="Lee">Adam C. Lee</name><name sortKey="Wild, David J" sort="Wild, David J" uniqKey="Wild D" first="David J" last="Wild">David J. Wild</name><name sortKey="Wu, Yuqing" sort="Wu, Yuqing" uniqKey="Wu Y" first="Yuqing" last="Wu">Yuqing Wu</name></noCountry><country name="États-Unis"><region name="Indiana"><name sortKey="Wang, Huijun" sort="Wang, Huijun" uniqKey="Wang H" first="Huijun" last="Wang">Huijun Wang</name></region></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
EXPLOR_STEP=$WICRI_ROOT/Ticri/CIDE/explor/CyberinfraV1/Data/Ncbi/Merge
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 000036 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/Ncbi/Merge/biblio.hfd -nk 000036 | SxmlIndent | more
Pour mettre un lien sur cette page dans le réseau Wicri
{{Explor lien
|wiki= Ticri/CIDE
|area= CyberinfraV1
|flux= Ncbi
|étape= Merge
|type= RBID
|clé= pubmed:17915856
|texte= Chemical data mining of the NCI human tumor cell line database.
}}
Pour générer des pages wiki
HfdIndexSelect -h $EXPLOR_AREA/Data/Ncbi/Merge/RBID.i -Sk "pubmed:17915856" \
| HfdSelect -Kh $EXPLOR_AREA/Data/Ncbi/Merge/biblio.hfd \
| NlmPubMed2Wicri -a CyberinfraV1
| This area was generated with Dilib version V0.6.25. |  |