dc.contributor.author | Pierens, GK | |
dc.contributor.author | Palframan, ME | |
dc.contributor.author | Tranter, CJ | |
dc.contributor.author | Carroll, AR | |
dc.contributor.author | Quinn, RJ | |
dc.date.accessioned | 2017-05-03T13:17:57Z | |
dc.date.available | 2017-05-03T13:17:57Z | |
dc.date.issued | 2005 | |
dc.date.modified | 2009-12-02T05:55:12Z | |
dc.identifier.issn | 0749-1581 | |
dc.identifier.doi | 10.1002/mrc.1562 | |
dc.identifier.uri | http://hdl.handle.net/10072/4167 | |
dc.description.abstract | A 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.peerreviewed | Yes | |
dc.description.publicationstatus | Yes | |
dc.language | English | |
dc.language.iso | eng | |
dc.publisher | John Wiley & Sons Ltd. | |
dc.publisher.place | Chichester, UK | |
dc.publisher.uri | https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/mrc.1562 | |
dc.relation.ispartofstudentpublication | N | |
dc.relation.ispartofpagefrom | 359 | |
dc.relation.ispartofpageto | 365 | |
dc.relation.ispartofissue | 5 | |
dc.relation.ispartofjournal | Magnetic Resonance in Chemistry | |
dc.relation.ispartofvolume | 43 | |
dc.rights.retention | Y | |
dc.subject.fieldofresearch | Medicinal and biomolecular chemistry | |
dc.subject.fieldofresearch | Physical chemistry | |
dc.subject.fieldofresearchcode | 3404 | |
dc.subject.fieldofresearchcode | 3406 | |
dc.title | A robust clustering approach for NMR spectra of natural product extracts | |
dc.type | Journal article | |
dc.type.description | C1 - Articles | |
dc.type.code | C - 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.issued | 2005 | |
gro.hasfulltext | No Full Text | |
gro.griffith.author | Quinn, Ronald J. | |
gro.griffith.author | Carroll, Anthony R. | |