BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

187 related articles for article (PubMed ID: 31605112)

  • 1. Identification of metabolites from tandem mass spectra with a machine learning approach utilizing structural features.
    Li Y; Kuhn M; Gavin AC; Bork P
    Bioinformatics; 2020 Feb; 36(4):1213-1218. PubMed ID: 31605112
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Searching molecular structure databases with tandem mass spectra using CSI:FingerID.
    Dührkop K; Shen H; Meusel M; Rousu J; Böcker S
    Proc Natl Acad Sci U S A; 2015 Oct; 112(41):12580-5. PubMed ID: 26392543
    [TBL] [Abstract][Full Text] [Related]  

  • 3. ADAPTIVE: leArning DAta-dePendenT, concIse molecular VEctors for fast, accurate metabolite identification from tandem mass spectra.
    Nguyen DH; Nguyen CH; Mamitsuka H
    Bioinformatics; 2019 Jul; 35(14):i164-i172. PubMed ID: 31510641
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Metabolite identification and molecular fingerprint prediction through machine learning.
    Heinonen M; Shen H; Zamboni N; Rousu J
    Bioinformatics; 2012 Sep; 28(18):2333-41. PubMed ID: 22815355
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Combining Experimental with Computational Infrared and Mass Spectra for High-Throughput Nontargeted Chemical Structure Identification.
    Karunaratne E; Hill DW; Dührkop K; Böcker S; Grant DF
    Anal Chem; 2023 Aug; 95(32):11901-11907. PubMed ID: 37540774
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Bayesian networks for mass spectrometric metabolite identification via molecular fingerprints.
    Ludwig M; Dührkop K; Böcker S
    Bioinformatics; 2018 Jul; 34(13):i333-i340. PubMed ID: 29949965
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. A Machine Learning Based Approach to de novo Sequencing of Glycans from Tandem Mass Spectrometry Spectrum.
    Kumozaki S; Sato K; Sakakibara Y
    IEEE/ACM Trans Comput Biol Bioinform; 2015; 12(6):1267-74. PubMed ID: 26671799
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Fast metabolite identification with Input Output Kernel Regression.
    Brouard C; Shen H; Dührkop K; d'Alché-Buc F; Böcker S; Rousu J
    Bioinformatics; 2016 Jun; 32(12):i28-i36. PubMed ID: 27307628
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Evaluation of an Artificial Neural Network Retention Index Model for Chemical Structure Identification in Nontargeted Metabolomics.
    Samaraweera MA; Hall LM; Hill DW; Grant DF
    Anal Chem; 2018 Nov; 90(21):12752-12760. PubMed ID: 30350614
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Searching molecular structure databases using tandem MS data: are we there yet?
    Böcker S
    Curr Opin Chem Biol; 2017 Feb; 36():1-6. PubMed ID: 28025165
    [TBL] [Abstract][Full Text] [Related]  

  • 13. MIDAS: a database-searching algorithm for metabolite identification in metabolomics.
    Wang Y; Kora G; Bowen BP; Pan C
    Anal Chem; 2014 Oct; 86(19):9496-503. PubMed ID: 25157598
    [TBL] [Abstract][Full Text] [Related]  

  • 14. MS2Compound: A User-Friendly Compound Identification Tool for LC-MS/MS-Based Metabolomics Data.
    Behera SK; Kasaragod S; Karthikkeyan G; Narayana Kotimoole C; Raju R; Prasad TSK; Subbannayya Y
    OMICS; 2021 Jun; 25(6):389-399. PubMed ID: 34115523
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Topic modeling for untargeted substructure exploration in metabolomics.
    van der Hooft JJ; Wandy J; Barrett MP; Burgess KE; Rogers S
    Proc Natl Acad Sci U S A; 2016 Nov; 113(48):13738-13743. PubMed ID: 27856765
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Metabolite identification using automated comparison of high-resolution multistage mass spectral trees.
    Rojas-Cherto M; Peironcely JE; Kasper PT; van der Hooft JJ; de Vos RC; Vreeken R; Hankemeier T; Reijmers T
    Anal Chem; 2012 Jul; 84(13):5524-34. PubMed ID: 22612383
    [TBL] [Abstract][Full Text] [Related]  

  • 17. SIMPLE: Sparse Interaction Model over Peaks of moLEcules for fast, interpretable metabolite identification from tandem mass spectra.
    Nguyen DH; Nguyen CH; Mamitsuka H
    Bioinformatics; 2018 Jul; 34(13):i323-i332. PubMed ID: 29950009
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Autonomous METLIN-Guided In-source Fragment Annotation for Untargeted Metabolomics.
    Domingo-Almenara X; Montenegro-Burke JR; Guijas C; Majumder EL; Benton HP; Siuzdak G
    Anal Chem; 2019 Mar; 91(5):3246-3253. PubMed ID: 30681830
    [TBL] [Abstract][Full Text] [Related]  

  • 19. SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information.
    Dührkop K; Fleischauer M; Ludwig M; Aksenov AA; Melnik AV; Meusel M; Dorrestein PC; Rousu J; Böcker S
    Nat Methods; 2019 Apr; 16(4):299-302. PubMed ID: 30886413
    [TBL] [Abstract][Full Text] [Related]  

  • 20.
    ; ; . PubMed ID:
    [No Abstract]   [Full Text] [Related]  

    [Next]    [New Search]
    of 10.