| scholarly article | Q13442814 |
| P819 | ADS bibcode | 2017NatCo...8.1494S |
| P6179 | Dimensions Publication ID | 1092599528 |
| P356 | DOI | 10.1038/S41467-017-01318-5 |
| P932 | PMC publication ID | 5684233 |
| P698 | PubMed publication ID | 29133785 |
| P50 | author | Pieter C. Dorrestein | Q25707408 |
| Sebastian Böcker | Q63208429 | ||
| Franziska Hufsky | Q64358327 | ||
| Mingxun Wang | Q64828966 | ||
| Nuno Bandeira | Q98513835 | ||
| Kerstin Scheubert | Q116687755 | ||
| Daniel Petras | Q52853382 | ||
| Louis-Félix Nothias | Q56885211 | ||
| Kai Dührkop | Q57191385 | ||
| P2860 | cites work | In silico fragmentation for computer assisted identification of metabolite mass spectra | Q21284354 |
| Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry | Q27136845 | ||
| Improved False Discovery Rate Estimation Procedure for Shotgun Proteomics | Q27301135 | ||
| MetFrag relaunched: incorporating strategies beyond in silico fragmentation | Q27702197 | ||
| SPLASH, a hashed identifier for mass spectra | Q27795847 | ||
| Global chemical analysis of biology by mass spectrometry | Q105826365 | ||
| DIAMetAlyzer allows automated false-discovery rate-controlled analysis for data-independent acquisition in metabolomics | Q114867182 | ||
| Towards de novo identification of metabolites by analyzing tandem mass spectra | Q44805412 | ||
| Finding maximum colorful subtrees in practice | Q45253594 | ||
| Substructure-based annotation of high-resolution multistage MS(n) spectral trees | Q48046275 | ||
| Unbiased False Discovery Rate Estimation for Shotgun Proteomics Based on the Target-Decoy Approach | Q48651251 | ||
| Correction to 'Metabolomics of reef benthic interactions reveals a bioactive lipid involved in coral defence'. | Q55096320 | ||
| Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification | Q57014238 | ||
| Empirical Bayes Analysis of a Microarray Experiment | Q58618328 | ||
| Optimization and testing of mass spectral library search algorithms for compound identification | Q27807493 | ||
| MassBank: a public repository for sharing mass spectral data for life sciences | Q27809667 | ||
| Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking | Q27818844 | ||
| Fragmentation trees reloaded | Q27902332 | ||
| Proposed minimum reporting standards for chemical analysis | Q27921801 | ||
| Current and Future Perspectives on the Structural Identification of Small Molecules in Biological Systems | Q28079837 | ||
| Empirical statistical model to estimate the accuracy of peptide identifications made by MS/MS and database search | Q28211385 | ||
| Deciphering ocean carbon in a changing world | Q28601705 | ||
| Making proteomics data accessible and reusable: current state of proteomics databases and repositories | Q28648439 | ||
| Metabolomics enables precision medicine: "A White Paper, Community Perspective" | Q28831476 | ||
| Target-decoy search strategy for increased confidence in large-scale protein identifications by mass spectrometry | Q29547311 | ||
| METLIN: a metabolite mass spectral database | Q29614808 | ||
| Open-access metabolomics databases for natural product research: present capabilities and future potential. | Q30487721 | ||
| MetAssign: probabilistic annotation of metabolites from LC-MS data using a Bayesian clustering approach. | Q30830251 | ||
| Navigating through metaproteomics data: a logbook of database searching | Q30911195 | ||
| Analysis and validation of proteomic data generated by tandem mass spectrometry | Q31131394 | ||
| Combined use of ESI-QqTOF-MS and ESI-QqTOF-MS/MS with mass-spectral library search for qualitative analysis of drugs | Q33253322 | ||
| On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library: 2. Optimization and characterization of the search algorithm | Q33400813 | ||
| Dereplication of peptidic natural products through database search of mass spectra | Q33614929 | ||
| Computing fragmentation trees from tandem mass spectrometry data | Q33779369 | ||
| Spectral library generating function for assessing spectrum-spectrum match significance | Q34786458 | ||
| Autonomous metabolomics for rapid metabolite identification in global profiling | Q35001253 | ||
| MSblender: A probabilistic approach for integrating peptide identifications from multiple database search engines | Q35083919 | ||
| Illuminating the dark matter in metabolomics | Q36179188 | ||
| Searching molecular structure databases with tandem mass spectra using CSI:FingerID. | Q36179301 | ||
| Mass Spectrometry Based Molecular 3D-Cartography of Plant Metabolites | Q36345409 | ||
| Assigning significance to peptides identified by tandem mass spectrometry using decoy databases | Q37027478 | ||
| The spectral networks paradigm in high throughput mass spectrometry | Q37483521 | ||
| Mass Spectrometry-Based Visualization of Molecules Associated with Human Habitats. | Q38812357 | ||
| ProbMetab: an R package for Bayesian probabilistic annotation of LC-MS-based metabolomics | Q38940647 | ||
| Molecular Networking As a Drug Discovery, Drug Metabolism, and Precision Medicine Strategy | Q39008493 | ||
| How to talk about protein-level false discovery rates in shotgun proteomics | Q39509752 | ||
| On using samples of known protein content to assess the statistical calibration of scores assigned to peptide-spectrum matches in shotgun proteomics | Q40741382 | ||
| CFM-ID: a web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra | Q41861014 | ||
| MIDAS: a database-searching algorithm for metabolite identification in metabolomics. | Q42678958 | ||
| Towards first principles calculation of electron impact mass spectra of molecules | Q43518566 | ||
| P275 | copyright license | Creative Commons Attribution 4.0 International | Q20007257 |
| P6216 | copyright status | copyrighted | Q50423863 |
| P433 | issue | 1 | |
| P407 | language of work or name | English | Q1860 |
| P921 | main subject | spectroscopy | Q483666 |
| precision | Q962365 | ||
| metabolomics | Q12149006 | ||
| P304 | page(s) | 1494 | |
| P577 | publication date | 2017-11-14 | |
| P1433 | published in | Nature Communications | Q573880 |
| P1476 | title | Significance estimation for large scale metabolomics annotations by spectral matching | |
| P478 | volume | 8 |
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