{"data":{"id":"10.6084/m9.figshare.1456244","type":"dois","attributes":{"doi":"10.6084/m9.figshare.1456244","prefix":"10.6084","suffix":"m9.figshare.1456244","identifiers":[],"alternateIdentifiers":[],"creators":[{"name":"Mattiello, Federico","nameType":"Personal","givenName":"Federico","familyName":"Mattiello","affiliation":[],"nameIdentifiers":[]},{"name":"Thas, Olivier","nameType":"Personal","givenName":"Olivier","familyName":"Thas","affiliation":[],"nameIdentifiers":[]},{"name":"Bie Verbist","affiliation":[],"nameIdentifiers":[]}],"titles":[{"title":"Principal bicorrelation analysis: Unraveling associations between three data sources"}],"publisher":"Taylor \u0026 Francis","container":{},"publicationYear":2015,"subjects":[{"subject":"Biochemistry"},{"subject":"Genetics"},{"subject":"FOS: Biological sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Biological sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Pharmacology"},{"subject":"39999 Chemical Sciences not elsewhere classified","subjectScheme":"FOR"},{"subject":"FOS: Chemical sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Chemical sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"80699 Information Systems not elsewhere classified","subjectScheme":"FOR"},{"subject":"FOS: Computer and information sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Computer and information sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"19999 Mathematical Sciences not elsewhere classified","subjectScheme":"FOR"},{"subject":"FOS: Mathematics","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Mathematics","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Developmental Biology"},{"subject":"Cancer"},{"subject":"110309 Infectious Diseases","subjectScheme":"FOR"},{"subject":"FOS: Health sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Health sciences","subjectScheme":"Fields of Science and Technology (FOS)"}],"contributors":[],"dates":[{"date":"2015-06-22","dateType":"Created"},{"date":"2016-04-26","dateType":"Updated"},{"date":"2015","dateType":"Issued"}],"language":null,"types":{"ris":"DATA","bibtex":"misc","citeproc":"dataset","schemaOrg":"Dataset","resourceType":"Dataset","resourceTypeGeneral":"Dataset"},"relatedIdentifiers":[{"relationType":"IsSupplementTo","relatedIdentifier":"10.1080/10543406.2015.1052491","relatedIdentifierType":"DOI"}],"relatedItems":[],"sizes":["3018861 Bytes"],"formats":[],"version":null,"rightsList":[{"rights":"Creative Commons Attribution 4.0 International","rightsUri":"https://creativecommons.org/licenses/by/4.0/legalcode","schemeUri":"https://spdx.org/licenses/","rightsIdentifier":"cc-by-4.0","rightsIdentifierScheme":"SPDX"}],"descriptions":[{"description":"In this article, we propose a statistical explorative method for data integration. It is developed in the context of early drug development for which it enables the detection of chemical substructures and the identification of genes that mediate their association with the bioactivity (BA). The core of the method is a sparse singular value decomposition for the identification of the gene set and a permutation-based method for the control of the false discovery rate. The method is illustrated using a real dataset, and its properties are empirically evaluated by means of a simulation study. Quantitative Structure Transcriptional Activity Relationship (QSTAR, www.qstar-consortium.org) is a new paradigm in early drug development that extends QSAR by not only considering data on the chemical structure of the compounds and on the compound-induced BA, but by simultaneously using transcriptomics data (gene expression). This approach enables, for example, the detection of chemical substructures that are associated with BA, while at the same time a gene set is correlated with both these substructures and the BA. Although causal associations cannot be formally concluded, these associations may suggest that the compounds act on the BA through a particular genomic pathway.","descriptionType":"Abstract"}],"geoLocations":[],"fundingReferences":[],"xml":"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","url":"https://tandf.figshare.com/articles/dataset/Principal_Bicorrelation_Analysis_Unraveling_Associations_Between_Three_Data_Sources/1456244","contentUrl":null,"metadataVersion":4,"schemaVersion":"http://datacite.org/schema/kernel-4","source":"mds","isActive":true,"state":"findable","reason":null,"viewCount":0,"viewsOverTime":[],"downloadCount":0,"downloadsOverTime":[],"referenceCount":0,"citationCount":0,"citationsOverTime":[],"partCount":0,"partOfCount":0,"versionCount":0,"versionOfCount":0,"created":"2015-06-22T19:34:22.000Z","registered":"2015-06-22T19:34:24.000Z","published":"2015","updated":"2020-09-04T16:53:49.000Z"},"relationships":{"client":{"data":{"id":"figshare.ars","type":"clients"}},"provider":{"data":{"id":"otjm","type":"providers"}},"media":{"data":{"id":"10.6084/m9.figshare.1456244","type":"media"}},"references":{"data":[]},"citations":{"data":[]},"parts":{"data":[]},"partOf":{"data":[]},"versions":{"data":[]},"versionOf":{"data":[]}}}}