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egonws library [43 articles]

Nye artikler sendt til egonws bibliotek.
  • Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry
    BMC Bioinformatics, Vol. 8 (27 March 2007), 105.
    by Tobias Kind, Oliver Fiehn
    posted to metabolomics chemoinformatics cdk by egonw on 2008-10-02 14:28:29 as ** along with 1 person groepl
  • Mass spectrometry and Web 2.0
    Journal of Mass Spectrometry, Vol. 42, No. 10. (2007), pp. 1263-1271.
    by Kermit K Murray
    posted to web spectrometry mass by egonw on 2008-09-02 15:13:29 as ** along with 1 person dullhunk
  • OntologyWidget - a reusable, embeddable widget for easily locating ontology terms
    BMC Bioinformatics, Vol. 8, No. 1. (2007)
    by Catherine Beauheim, Farrell Wymore, Michael Nitzberg, Zachariah Zachariah, Heng Jin, Pate JH Skene, Catherine Ball, Gavin Sherlock
  • notes BioMOBY: an open source biological web services proposal.
    Brief Bioinform, Vol. 3, No. 4. (December 2002), pp. 331-341.
    by MD Wilkinson, M Links
    posted to no-tag by egonw on 2007-08-19 21:15:56 as read along with 3 people neilernst moborg dullhunk
  • notes Harvesting Chemical Information from the Internet Using a Distributed Approach: ChemXtreme
    J. Chem. Inf. Model., Vol. 46, No. 2. (27 March 2006), pp. 452-461.
    posted to chemoinformatics by egonw on 2007-08-11 20:02:26 as read
  • A metabolome pipeline: from concept to data to knowledge
    Metabolomics, Vol. 1, No. 1. (March 2005), pp. 39-51.
    by Marie Brown, Warwick B Dunn, David I Ellis, Royston Goodacre, Julia Handl, Joshua D Knowles, Steve Oâhagan, Irena Spasiä, Douglas B Kell
  • The origin of correlations in metabolomics data
    Metabolomics, Vol. 1, No. 1. (2 March 2005), pp. 53-63.
    by Diogo Camacho, de La, Pedro Mendes
    posted to biology correlation metabolomics statistics systems by egonw on 2007-08-06 16:31:07 as ****
  • Strategies for gathering structural information on unknown peaks in the GC/MS analysis of Corynebacterium glutamicum cell extracts
    Metabolomics, Vol. 1, No. 4. (22 October 2005), pp. 317-324.
    by Diran Herebian, Bernadette Hanisch, Franz-Josef Marner
    posted to elucidation gcms metabolomics structure by egonw on 2007-08-06 16:28:50 as ****
  • Evaluation of regression models in metabolic physiology: predicting fluxes from isotopic data without knowledge of the pathway
    Metabolomics, Vol. 2, No. 1. (19 March 2006), pp. 41-52.
    by Maciek R Antoniewicz, Gregory Stephanopoulos, Joanne K Kelleher
    posted to biology metabolomics pathway regression systems by egonw on 2007-08-06 16:26:54 as ****
  • Alignment of high resolution mass spectra: development of a heuristic approach for metabolomics
    Metabolomics, Vol. 2, No. 2. (19 June 2006), pp. 75-83.
    by Saira Kazmi, Samiran Ghosh, Dong-Guk Shin, Dennis Hill, David Grant
    posted to alignment clustering mass metabolomics preprocessing spectroscopy by egonw on 2007-08-06 16:23:56 as ****
  • Statistical strategies for avoiding false discoveries in metabolomics and related experiments
    Metabolomics, Vol. 2, No. 4. (13 December 2006), pp. 171-196.
    by David Broadhurst, Douglas Kell
    posted to metabolomics statistics validation by egonw on 2007-08-06 16:20:31 as **** along with 1 person alanrw
  • Bagged K-Means Clustering of Metabolome Data
    Critical Reviews in Analytical Chemistry, Vol. 36, No. 3. (2006), pp. 211-220.
    by JA Hageman, Berg, JA Westerhuis, HCJ Hoefsloot, AK Smilde
    posted to chemometrics clustering metabolome by egonw on 2007-08-06 16:03:59 as read
  • Plant metabolomics: potential for practical operation.
    J Biosci Bioeng, Vol. 100, No. 4. (October 2005), pp. 347-354.
    posted to metabolomics plant by egonw on 2007-07-09 05:00:58 as ** along with 1 person drsandrug
  • Metabolomics--the link between genotypes and phenotypes.
    Plant Mol Biol, Vol. 48, No. 1-2. (January 2002), pp. 155-171.
    by O Fiehn
  • Mass spectrometry-based metabolomics.
    Mass Spectrom Rev (18 August 2006)
    by Katja Dettmer, Pavel A A Aronov, Bruce D D Hammock
    posted to mass metabolomics spectroscopy by egonw on 2007-07-09 04:58:30 as ** along with 3 people jyuh cite0000 BIBLIOma
  • Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation
    Progress in Nuclear Magnetic Resonance Spectroscopy, Vol. In Press, Corrected Proof
    by ME Elyashberg, AJ Williams, GE Martin
    posted to case elucidation metabolomics nmr structure by egonw on 2007-07-09 04:55:12 as *****
  • Seahawk: moving beyond HTML in Web-based bioinformatics analysis
    BMC Bioinformatics, Vol. 8 (18 June 2007), 208.
    by Paul MK Gordon, Christoph W Sensen
  • Advancing translational research with the Semantic Web
    BMC Bioinformatics, Vol. 8, No. Suppl 3. (2007)
    by Alan Ruttenberg, Tim Clark, William Bug, Matthias Samwald, Olivier Bodenreider, Helen Chen, Donald Doherty, Kerstin Forsberg, Yong Gao, Vipul Kashyap, June Kinoshita, Joanne Luciano, Scott M Marshall, Chimezie Ogbuji, Jonathan Rees, Susie Stephens, Gwendolyn Wong, Elizabeth Wu, Davide Zaccagnini, Tonya Hongsermeier, Eric Neumann, Ivan Herman, Kei H Cheung
  • A novel approach for nontargeted data analysis for metabolomics. Large-scale profiling of tomato fruit volatiles.
    Plant Physiol, Vol. 139, No. 3. (November 2005), pp. 1125-1137.
    by Y Tikunov, A Lommen, CH de Vos, HA Verhoeven, RJ Bino, RD Hall, AG Bovy
    posted to metabolomics by egonw on 2007-07-05 13:44:17 as ***** along with 1 person BIBLIOma
  • The genetics of plant metabolism
    Nature Genetics, Vol. 38, No. 7. (04 June 2006), pp. 842-849.
    by Joost JB Keurentjes, Jingyuan Fu, Ric CH de Vos, Arjen Lommen, Robert D Hall, Raoul J Bino, Linus HW van der Plas, Ritsert C Jansen, Dick Vreugdenhil, Maarten Koornneef
    posted to metabolomics by egonw on 2007-07-05 13:15:43 as *****
  • An untargeted metabolomics approach to contaminant analysis: pinpointing potential unknown compounds.
    Anal Chim Acta, Vol. 584, No. 1. (12 February 2007), pp. 43-49.
    posted to metabolomics by egonw on 2007-07-05 13:11:53 as *****
  • What is a gene, post-ENCODE? History and updated definition.
    Genome Res, Vol. 17, No. 6. (June 2007), pp. 669-681.
    by MB Gerstein, C Bruce, JS Rozowsky, D Zheng, J Du, JO Korbel, O Emanuelsson, ZD Zhang, S Weissman, M Snyder
  • QSRR: Quantitative Structure-(Chromatographic) Retention Relationships
    Chem. Rev. (27 June 2007)
    posted to chemometrics chromatography qsar retention time by egonw on 2007-06-29 18:37:34 as ***
  • notes Molecular query language (MQL)--a context-free grammar for substructure matching.
    J Chem Inf Model, Vol. 47, No. 2. (r 2007), pp. 295-301.
  • We're living in a 3D world
    Nat Struct Mol Biol, Vol. 13, No. 2. (February 2006), pp. 93-93.
    posted to firstglance jmol by egonw on 2007-06-10 14:21:44 as **
  • Janocchio - a Java applet for viewing 3D structures and calculating NMR couplings and NOEs
    Magnetic Resonance in Chemistry, Vol. 45, No. 7. (2007), pp. 595-600.
    by David A Evans, Michael J Bodkin, Richard S Baker, Gary J Sharman
    posted to 3d applet java nmr structure viewer by egonw on 2007-06-10 13:12:42 as ***** along with 2 people daevans paridep
  • A compilation of molecular biology web servers: 2006 update on the Bioinformatics Links Directory
    Nucleic Acids Research, Vol. 34, No. W3-W5.
    by JA Fox, S Mcmillan, Francis
    posted to bioinformatics database by egonw on 2007-06-10 11:58:03 as ****
  • The Molecular Biology Database Collection: 2007 update
    Nucleic Acids Research, Vol. 35, No. D3-D4.
    by MY Galperin
    posted to bioinformatics database by egonw on 2007-06-10 11:53:40 as *****
  • Method for the computational comparison of crystal structures
    Acta Crystallographica, Vol. B61 (2005), pp. 29-36.
    posted to chemometrics crystal crystallography similarity structure by egonw on 2007-06-10 09:46:31 as read
  • Molecular Chemometrics
    Critical Reviews in Analytical Chemistry, No. 3. (2006), pp. 189-198.
  • JChemPaint - Using the Collaborative Forces of the Internet to Develop a Free Editor for 2D Chemical Structures
    Molecules, Vol. 5, pp. 93-98.
    posted to chemistry chemoinformatics editor java opensource structure by egonw on 2007-06-10 09:38:59 as read
  • Processing CML conventions in Java
    Internet Journal of Chemistry, Vol. 4 (2001), 4.
    posted to chemical chemoinformatics cml java language markup opensource by egonw on 2007-06-10 09:35:23 as read
  • iHOPerator: User-scripting a personalized bioinformatics Web, starting with the iHOP website
    BMC Bioinformatics, Vol. 7 (15 December 2006), 534.
    by Benjamin M Good, Edward A Kawas, Byron Y Kuo, Mark D Wilkinson
  • Computer-assisted reading in drug discovery
    pp. 299-304.
    by Manuel C Peitsch
    posted to no-tag by egonw on 2007-06-10 09:04:30 as *****
  • An Algorithm for Subgraph Isomorphism
    J. ACM, Vol. 23, No. 1. (January 1976), pp. 31-42.
    by JR Ullmann
    posted to chemoinformatics graphtheory by egonw on 2007-06-09 09:59:08 as **** along with 2 people schlauchi noby
  • A novel spectra similarity measure
    Chemometrics and Intelligent Laboratory Systems, Vol. 85, No. 1. (15 January 2007), pp. 1-8.
    by Lorant Bodis, Alfred Ross, Erno Pretsch
    posted to chemometrics nmr similarity by egonw on 2007-06-09 09:39:43 as *****
  • The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics.
    J Chem Inf Comput Sci, Vol. 43, No. 2. (r 2003), pp. 493-500.
    posted to chemoinformatics java opensource by egonw on 2007-06-09 09:31:09 as read along with 2 people kuhn noby
  • Chemical markup, XML, and the World Wide Web. 5. Applications of chemical metadata in RSS aggregators.
    J Chem Inf Comput Sci, Vol. 44, No. 2. (r 2004), pp. 462-469.
    posted to chemoinformatics cml rss xml by egonw on 2007-06-09 09:30:49 as read along with 1 person pmb
  • Method for the computational comparison of crystal structures
    posted to chemistry chemoinformatics chemometrics crystal structures by egonw on 2007-06-09 09:30:16 as read
  • On the use of 1H and 13C 1D NMR spectra as QSPR descriptors.
    J Chem Inf Model, Vol. 46, No. 2. (r 2006), pp. 487-494.
    posted to chemometrics nmr qsar qspr by egonw on 2007-06-09 09:29:34 as read along with 1 person nigelsim
  • Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics.
    Curr Pharm Des, Vol. 12, No. 17. (2006), pp. 2111-2120.
    by C Steinbeck, C Hoppe, S Kuhn, M Floris, R Guha, EL Willighagen
    posted to chemoinformatics java opensource by egonw on 2007-06-09 09:28:49 as read along with 2 people kuhn noby
  • Bioclipse: An open source workbench for chemo- and bioinformatics
    BMC Bioinformatics, Vol. 8, No. 1. (2007)
    by Ola Spjuth, Tobias Helmus, Egon Willighagen, Stefan Kuhn, Martin Eklund, Johannes Wagener, Peter M Rust, Christoph Steinbeck, Jarl Wikberg
  • The Blue Obelisk-interoperability in chemical informatics.
    J Chem Inf Model, Vol. 46, No. 3. (n 2006), pp. 991-998.
    posted to blueobelisk by egonw on 2007-01-14 11:31:40 as read along with 3 people nicklynch dullhunk papatonyhill
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