These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

136 related articles for article (PubMed ID: 26819876)

  • 1. Automatic Compound Annotation from Mass Spectrometry Data Using MAGMa.
    Ridder L; van der Hooft JJ; Verhoeven S
    Mass Spectrom (Tokyo); 2014; 3(Spec Iss 2):S0033. PubMed ID: 26819876
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Critical Assessment of Small Molecule Identification 2016: automated methods.
    Schymanski EL; Ruttkies C; Krauss M; Brouard C; Kind T; Dührkop K; Allen F; Vaniya A; Verdegem D; Böcker S; Rousu J; Shen H; Tsugawa H; Sajed T; Fiehn O; Ghesquière B; Neumann S
    J Cheminform; 2017 Mar; 9(1):22. PubMed ID: 29086042
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy.
    Blaženović I; Kind T; Torbašinović H; Obrenović S; Mehta SS; Tsugawa H; Wermuth T; Schauer N; Jahn M; Biedendieck R; Jahn D; Fiehn O
    J Cheminform; 2017 May; 9(1):32. PubMed ID: 29086039
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Using MS-FINDER for identifying 19 natural products in the CASMI 2016 contest.
    Vaniya A; Samra SN; Palazoglu M; Tsugawa H; Fiehn O
    Phytochem Lett; 2017 Sep; 21():306-312. PubMed ID: 31576201
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Substructure-based annotation of high-resolution multistage MS(n) spectral trees.
    Ridder L; van der Hooft JJ; Verhoeven S; de Vos RC; van Schaik R; Vervoort J
    Rapid Commun Mass Spectrom; 2012 Oct; 26(20):2461-71. PubMed ID: 22976213
    [TBL] [Abstract][Full Text] [Related]  

  • 6. CASMI 2013: Identification of Small Molecules by Tandem Mass Spectrometry Combined with Database and Literature Mining.
    Newsome AG; Nikolic D
    Mass Spectrom (Tokyo); 2014; 3(Spec Iss 2):S0034. PubMed ID: 26819877
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Solving CASMI 2013 with MetFrag, MetFusion and MOLGEN-MS/MS.
    Schymanski EL; Gerlich M; Ruttkies C; Neumann S
    Mass Spectrom (Tokyo); 2014; 3(Spec Iss 2):S0036. PubMed ID: 26819879
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Automatic chemical structure annotation of an LC-MS(n) based metabolic profile from green tea.
    Ridder L; van der Hooft JJ; Verhoeven S; de Vos RC; Bino RJ; Vervoort J
    Anal Chem; 2013 Jun; 85(12):6033-40. PubMed ID: 23662787
    [TBL] [Abstract][Full Text] [Related]  

  • 9. CASMI 2016: A manual approach for dereplication of natural products using tandem mass spectrometry.
    Nikolić D
    Phytochem Lett; 2017 Sep; 21():292-296. PubMed ID: 28966697
    [TBL] [Abstract][Full Text] [Related]  

  • 10. CASMI-The Small Molecule Identification Process from a Birmingham Perspective.
    Allwood JW; Weber RJ; Zhou J; He S; Viant MR; Dunn WB
    Metabolites; 2013 May; 3(2):397-411. PubMed ID: 24957998
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Annotation of metabolites from gas chromatography/atmospheric pressure chemical ionization tandem mass spectrometry data using an in silico generated compound database and MetFrag.
    Ruttkies C; Strehmel N; Scheel D; Neumann S
    Rapid Commun Mass Spectrom; 2015 Aug; 29(16):1521-9. PubMed ID: 26212167
    [TBL] [Abstract][Full Text] [Related]  

  • 12. The Compound Characteristics Comparison (CCC) approach: a tool for improving confidence in natural compound identification.
    Narduzzi L; Stanstrup J; Mattivi F; Franceschi P
    Food Addit Contam Part A Chem Anal Control Expo Risk Assess; 2018 Nov; 35(11):2145-2157. PubMed ID: 30352003
    [TBL] [Abstract][Full Text] [Related]  

  • 13. compMS2Miner: An Automatable Metabolite Identification, Visualization, and Data-Sharing R Package for High-Resolution LC-MS Data Sets.
    Edmands WM; Petrick L; Barupal DK; Scalbert A; Wilson MJ; Wickliffe JK; Rappaport SM
    Anal Chem; 2017 Apr; 89(7):3919-3928. PubMed ID: 28225587
    [TBL] [Abstract][Full Text] [Related]  

  • 14. MetFrag relaunched: incorporating strategies beyond in silico fragmentation.
    Ruttkies C; Schymanski EL; Wolf S; Hollender J; Neumann S
    J Cheminform; 2016; 8():3. PubMed ID: 26834843
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Molecular Formula Identification Using Isotope Pattern Analysis and Calculation of Fragmentation Trees.
    Dührkop K; Hufsky F; Böcker S
    Mass Spectrom (Tokyo); 2014; 3(Spec Iss 2):S0037. PubMed ID: 26819880
    [TBL] [Abstract][Full Text] [Related]  

  • 16. MassGenie: A Transformer-Based Deep Learning Method for Identifying Small Molecules from Their Mass Spectra.
    Shrivastava AD; Swainston N; Samanta S; Roberts I; Wright Muelas M; Kell DB
    Biomolecules; 2021 Nov; 11(12):. PubMed ID: 34944436
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Compound annotation in liquid chromatography/high-resolution mass spectrometry based metabolomics: robust adduct ion determination as a prerequisite to structure prediction in electrospray ionization mass spectra.
    Jaeger C; Méret M; Schmitt CA; Lisec J
    Rapid Commun Mass Spectrom; 2017 Aug; 31(15):1261-1266. PubMed ID: 28499062
    [TBL] [Abstract][Full Text] [Related]  

  • 18. In silico fragmentation for computer assisted identification of metabolite mass spectra.
    Wolf S; Schmidt S; Müller-Hannemann M; Neumann S
    BMC Bioinformatics; 2010 Mar; 11():148. PubMed ID: 20307295
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Deciphering complex metabolite mixtures by unsupervised and supervised substructure discovery and semi-automated annotation from MS/MS spectra.
    Rogers S; Ong CW; Wandy J; Ernst M; Ridder L; van der Hooft JJJ
    Faraday Discuss; 2019 Aug; 218(0):284-302. PubMed ID: 31120050
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Revisiting Five Years of CASMI Contests with EPA Identification Tools.
    McEachran AD; Chao A; Al-Ghoul H; Lowe C; Grulke C; Sobus JR; Williams AJ
    Metabolites; 2020 Jun; 10(6):. PubMed ID: 32585902
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.