标题
Searching molecular structure databases with tandem mass spectra using CSI:FingerID
作者
关键词
-
出版物
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 112, Issue 41, Pages 12580-12585
出版商
Proceedings of the National Academy of Sciences
发表日期
2015-09-22
DOI
10.1073/pnas.1509788112
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics
- (2015) Arpana Vaniya et al. TRAC-TRENDS IN ANALYTICAL CHEMISTRY
- In Silico Prediction and Automatic LC–MSn Annotation of Green Tea Metabolites in Urine
- (2014) Lars Ridder et al. ANALYTICAL CHEMISTRY
- MIDAS: A Database-Searching Algorithm for Metabolite Identification in Metabolomics
- (2014) Yingfeng Wang et al. ANALYTICAL CHEMISTRY
- Metabolite identification through multiple kernel learning on fragmentation trees
- (2014) Huibin Shen et al. BIOINFORMATICS
- The Royal Society of Chemistry and the delivery of chemistry data repositories for the community
- (2014) Antony Williams et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification
- (2014) Felicity Allen et al. Metabolomics
- Metabolomic data streaming for biology-dependent data acquisition
- (2014) Duane Rinehart et al. NATURE BIOTECHNOLOGY
- Systematic Structural Characterization of Metabolites inArabidopsisvia Candidate Substrate-Product Pair Networks
- (2014) Kris Morreel et al. PLANT CELL
- Efficient ring perception for the Chemistry Development Kit
- (2014) John W May et al. Journal of Cheminformatics
- Automatic Chemical Structure Annotation of an LC–MSn Based Metabolic Profile from Green Tea
- (2013) Lars Ridder et al. ANALYTICAL CHEMISTRY
- In Silico Enzymatic Synthesis of a 400 000 Compound Biochemical Database for Nontargeted Metabolomics
- (2013) Lochana C. Menikarachchi et al. Journal of Chemical Information and Modeling
- Finding Maximum Colorful Subtrees in Practice
- (2013) Imran Rauf et al. JOURNAL OF COMPUTATIONAL BIOLOGY
- MetFusion: integration of compound identification strategies
- (2013) Michael Gerlich et al. JOURNAL OF MASS SPECTROMETRY
- Automated Label-free Quantification of Metabolites from Liquid Chromatography–Mass Spectrometry Data
- (2013) Erhan Kenar et al. MOLECULAR & CELLULAR PROTEOMICS
- LipidBlast in silico tandem mass spectrometry database for lipid identification
- (2013) Tobias Kind et al. NATURE METHODS
- MS/MS networking guided analysis of molecule and gene cluster families
- (2013) D. D. Nguyen et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Computational mass spectrometry for small-molecule fragmentation
- (2013) Franziska Hufsky et al. TRAC-TRENDS IN ANALYTICAL CHEMISTRY
- Computational mass spectrometry for small molecules
- (2013) Kerstin Scheubert et al. Journal of Cheminformatics
- Identifying the Unknowns by Aligning Fragmentation Trees
- (2012) Florian Rasche et al. ANALYTICAL CHEMISTRY
- Mass Spectral Reference Libraries: An Ever-Expanding Resource for Chemical Identification
- (2012) Stephen Stein ANALYTICAL CHEMISTRY
- Fast alignment of fragmentation trees
- (2012) Franziska Hufsky et al. BIOINFORMATICS
- Metabolite identification and molecular fingerprint prediction through machine learning
- (2012) M. Heinonen et al. BIOINFORMATICS
- Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics
- (2012) Warwick B. Dunn et al. Metabolomics
- Next-generation proteomics: towards an integrative view of proteome dynamics
- (2012) A. F. Maarten Altelaar et al. NATURE REVIEWS GENETICS
- Metabolomics: the apogee of the omics trilogy
- (2012) Gary J. Patti et al. NATURE REVIEWS MOLECULAR CELL BIOLOGY
- Database resources of the National Center for Biotechnology Information
- (2012) NUCLEIC ACIDS RESEARCH
- The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013
- (2012) Janna Hastings et al. NUCLEIC ACIDS RESEARCH
- HMDB 3.0—The Human Metabolome Database in 2013
- (2012) David S. Wishart et al. NUCLEIC ACIDS RESEARCH
- Mass spectral molecular networking of living microbial colonies
- (2012) J. Watrous et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Substructure-based annotation of high-resolution multistage MSnspectral trees
- (2012) Lars Ridder et al. RAPID COMMUNICATIONS IN MASS SPECTROMETRY
- LIBSVM
- (2012) Chih-Chung Chang et al. ACM Transactions on Intelligent Systems and Technology
- Metabolomics: from small molecules to big ideas
- (2011) Monya Baker NATURE METHODS
- Open Babel: An open chemical toolbox
- (2011) Noel M O'Boyle et al. Journal of Cheminformatics
- Computing Fragmentation Trees from Tandem Mass Spectrometry Data
- (2010) Florian Rasche et al. ANALYTICAL CHEMISTRY
- In silico fragmentation for computer assisted identification of metabolite mass spectra
- (2010) Sebastian Wolf et al. BMC BIOINFORMATICS
- MassBank: a public repository for sharing mass spectral data for life sciences
- (2010) Hisayuki Horai et al. JOURNAL OF MASS SPECTROMETRY
- Towards de novo identification of metabolites by analyzing tandem mass spectra
- (2008) S. Bocker et al. BIOINFORMATICS
- Chemical substructures that enrich for biological activity
- (2008) Justin Klekota et al. BIOINFORMATICS
- Automated de novo protein sequencing of monoclonal antibodies
- (2008) Nuno Bandeira et al. NATURE BIOTECHNOLOGY
- FiD: a software forab initiostructural identification of product ions from tandem mass spectrometric data
- (2008) Markus Heinonen et al. RAPID COMMUNICATIONS IN MASS SPECTROMETRY
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now