{"data":{"id":"10.6084/m9.figshare.861021.v1","type":"dois","attributes":{"doi":"10.6084/m9.figshare.861021.v1","prefix":"10.6084","suffix":"m9.figshare.861021.v1","identifiers":[],"alternateIdentifiers":[],"creators":[{"name":"Kumar, Sivakumar Prasanth","nameType":"Personal","givenName":"Sivakumar Prasanth","familyName":"Kumar","affiliation":[],"nameIdentifiers":[]},{"name":"Jasrai, Yogesh T.","nameType":"Personal","givenName":"Yogesh T.","familyName":"Jasrai","affiliation":[],"nameIdentifiers":[]},{"name":"Himanshu A. Pandya","affiliation":[],"nameIdentifiers":[]},{"name":"Rawal, Rakesh M.","nameType":"Personal","givenName":"Rakesh M.","familyName":"Rawal","affiliation":[],"nameIdentifiers":[]}],"titles":[{"title":"Pharmacophore-similarity-based QSAR (PS-QSAR) for group-specific biological activity predictions"}],"publisher":"Taylor \u0026 Francis","container":{},"publicationYear":2015,"subjects":[{"subject":"Plant Biology"},{"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":"Developmental Biology"},{"subject":"Mathematics"},{"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":"Information and Computing Sciences"},{"subject":"Biological Sciences"},{"subject":"Immunology"},{"subject":"FOS: Clinical medicine","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Clinical medicine","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Meta Science"},{"subject":"Chemistry"},{"subject":"Earth and Environmental Sciences"},{"subject":"Genetics"},{"subject":"Microbiology"},{"subject":"Biochemistry"}],"contributors":[],"dates":[{"date":"2015-01-02","dateType":"Created"},{"date":"2016-01-18","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":"10.1080/07391102.2013.849618","relatedIdentifierType":"DOI"},{"relationType":"IsPreviousVersionOf","relatedIdentifier":"10.6084/m9.figshare.861021","relatedIdentifierType":"DOI"}],"relatedItems":[],"sizes":["0 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":"Recent technological breakthroughs in medicinal chemistry arena had ameliorated the perspectives of quantitative structure–activity relationship (QSAR) methods. In this direction, we developed a group-based QSAR method based on pharmacophore-similarity concept which takes into account the 2D topological pharmacophoric descriptors and predicts the group-specific biological activities. This activity prediction may assist the contribution of certain pharmacophore features encoded by respective fragments toward activity improvement and/or detrimental effects. We termed this method as pharmacophore-similarity-based QSAR (PS-QSAR) and studied the activity contribution of fragments from 3-hydroxypyridinones derivatives possessing antimalarial activities.","descriptionType":"Abstract"}],"geoLocations":[],"fundingReferences":[],"xml":"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","url":"https://tandf.figshare.com/articles/dataset/Pharmacophore_similarity_based_QSAR_PS_QSAR_for_group_specific_biological_activity_predictions/861021/1","contentUrl":null,"metadataVersion":3,"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":"2016-01-18T18:06:47.000Z","registered":"2016-01-18T18:06:48.000Z","published":"2015","updated":"2020-09-05T00:57:19.000Z"},"relationships":{"client":{"data":{"id":"figshare.ars","type":"clients"}},"provider":{"data":{"id":"otjm","type":"providers"}},"media":{"data":{"id":"10.6084/m9.figshare.861021.v1","type":"media"}},"references":{"data":[]},"citations":{"data":[]},"parts":{"data":[]},"part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