Show simple item record

dc.contributor.authorPierens, GK
dc.contributor.authorPalframan, ME
dc.contributor.authorTranter, CJ
dc.contributor.authorCarroll, AR
dc.contributor.authorQuinn, RJ
dc.date.accessioned2017-05-03T13:17:57Z
dc.date.available2017-05-03T13:17:57Z
dc.date.issued2005
dc.date.modified2009-12-02T05:55:12Z
dc.identifier.issn0749-1581
dc.identifier.doi10.1002/mrc.1562
dc.identifier.urihttp://hdl.handle.net/10072/4167
dc.description.abstractA robust method was developed to cluster similar NMR spectra from partially purified extracts obtained from a range of marine sponges and a plant biota. The NMR data were acquired using microtiter plate NMR (VAST) in protonated solvents. A simple data set which contained several clusters was used to optimize the protocol. The evaluation of the robustness was performed using three different clustering methods: tree clustering analysis, K-means clustering and multidimensional scaling. These methods were compared for consistency using the sample data set and the optimized methodology was applied to clustering of a set of spectra from partially purified biota extracts.
dc.description.peerreviewedYes
dc.description.publicationstatusYes
dc.languageEnglish
dc.language.isoeng
dc.publisherJohn Wiley & Sons Ltd.
dc.publisher.placeChichester, UK
dc.publisher.urihttps://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/mrc.1562
dc.relation.ispartofstudentpublicationN
dc.relation.ispartofpagefrom359
dc.relation.ispartofpageto365
dc.relation.ispartofissue5
dc.relation.ispartofjournalMagnetic Resonance in Chemistry
dc.relation.ispartofvolume43
dc.rights.retentionY
dc.subject.fieldofresearchMedicinal and biomolecular chemistry
dc.subject.fieldofresearchPhysical chemistry
dc.subject.fieldofresearchcode3404
dc.subject.fieldofresearchcode3406
dc.titleA robust clustering approach for NMR spectra of natural product extracts
dc.typeJournal article
dc.type.descriptionC1 - Articles
dc.type.codeC - Journal Articles
gro.rights.copyright© 2005 John Wiley & Sons, Ltd. Self-archiving of the author-manuscript version is not yet supported by this publisher. Please refer to the journal link for access to the definitive, published version or contact the author for more information.
gro.date.issued2005
gro.hasfulltextNo Full Text
gro.griffith.authorQuinn, Ronald J.
gro.griffith.authorCarroll, Anthony R.


Files in this item

FilesSizeFormatView

There are no files associated with this item.

This item appears in the following Collection(s)

  • Journal articles
    Contains articles published by Griffith authors in scholarly journals.

Show simple item record