MolNetEnhancer: enhanced molecular networks by integrating metabolome mining and annotation tools
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Joe Wandy | Simon Rogers | Pieter C. Dorrestein | Madeleine Ernst | Andrés Mauricio Caraballo-Rodríguez | Kyo Bin Kang | Louis-Felix Nothias | Marnix H. Medema | Mingxun Wang | Justin J. J. van der Hooft
[1] Marc Litaudon,et al. MZmine 2 Data-Preprocessing To Enhance Molecular Networking Reliability. , 2017, Analytical chemistry.
[2] Ingo Ebersberger,et al. Natural product diversity associated with the nematode symbionts Photorhabdus and Xenorhabdus , 2017, Nature Microbiology.
[3] H. Bode,et al. Chemical language and warfare of bacterial natural products in bacteria-nematode-insect interactions. , 2018, Natural product reports.
[4] Joe Wandy,et al. Unsupervised Discovery and Comparison of Structural Families Across Multiple Samples in Untargeted Metabolomics , 2017, Analytical chemistry.
[5] Oliver Fiehn,et al. MS2Analyzer: A Software for Small Molecule Substructure Annotations from Accurate Tandem Mass Spectra , 2014, Analytical chemistry.
[6] Pierre Champy,et al. Natural products targeting strategies involving molecular networking: different manners, one goal. , 2019, Natural product reports.
[7] Richard D. Smith,et al. Clustering millions of tandem mass spectra. , 2008, Journal of proteome research.
[8] Ryuji Kanno,et al. Metabolomics: Dark matter , 2008, Nature.
[9] Thomas Naake,et al. MetCirc: navigating mass spectral similarity in high‐resolution MS/MS metabolomics data , 2017, Bioinform..
[10] Joe Wandy,et al. Ms2lda.org: web-based topic modelling for substructure discovery in mass spectrometry , 2017, Bioinform..
[11] Nuno Bandeira,et al. Significance estimation for large scale metabolomics annotations by spectral matching , 2017, Nature Communications.
[12] Steffen Neumann,et al. MetFusion: integration of compound identification strategies. , 2013, Journal of mass spectrometry : JMS.
[13] Andrea Porzel,et al. Discovering Regulated Metabolite Families in Untargeted Metabolomics Studies. , 2016, Analytical chemistry.
[14] S. Böcker,et al. Searching molecular structure databases with tandem mass spectra using CSI:FingerID , 2015, Proceedings of the National Academy of Sciences.
[15] Madeleine Ernst,et al. Comprehensive mass spectrometry-guided phenotyping of plant specialized metabolites reveals metabolic diversity in the cosmopolitan plant family Rhamnaceae. , 2019, The Plant journal : for cell and molecular biology.
[16] David S. Wishart,et al. CFM-ID: a web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra , 2014, Nucleic Acids Res..
[17] Esteban A. Hernandez-Vargas,et al. Focused natural product elucidation by prioritizing high-throughput metabolomic studies with machine learning , 2019, bioRxiv.
[18] Justin J J van der Hooft,et al. Polyphenol identification based on systematic and robust high-resolution accurate mass spectrometry fragmentation. , 2011, Analytical chemistry.
[19] Pieter C Dorrestein,et al. Illuminating the dark matter in metabolomics , 2015, Proceedings of the National Academy of Sciences.
[20] R. Bino,et al. In silico prediction and automatic LC-MS(n) annotation of green tea metabolites in urine. , 2014, Analytical chemistry.
[21] Joe Wandy,et al. Topic modeling for untargeted substructure exploration in metabolomics , 2016, Proceedings of the National Academy of Sciences.
[22] Marcel Kaiser,et al. Structure and biosynthesis of xenoamicins from entomopathogenic Xenorhabdus. , 2013, Chemistry.
[23] Herbert Oberacher,et al. Annotating Nontargeted LC-HRMS/MS Data with Two Complementary Tandem Mass Spectral Libraries , 2018, Metabolites.
[24] Juho Rousu,et al. SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information , 2019, Nature Methods.
[25] Federico Cozzi,et al. Oxidation and cyclization of casbene in the biosynthesis of Euphorbia factors from mature seeds of Euphorbia lathyris L. , 2016, Proceedings of the National Academy of Sciences.
[26] Pieter C Dorrestein,et al. Environmentally Friendly Procedure Based on Supercritical Fluid Chromatography and Tandem Mass Spectrometry Molecular Networking for the Discovery of Potent Antiviral Compounds from Euphorbia semiperfoliata. , 2017, Journal of natural products.
[27] Marc Litaudon,et al. MetGem Software for the Generation of Molecular Networks Based on the t-SNE Algorithm. , 2018, Analytical chemistry.
[28] B. Berman,et al. New developments in the treatment of actinic keratosis: focus on ingenol mebutate gel , 2012, Clinical, cosmetic and investigational dermatology.
[29] Antonio Coletta,et al. Girdling and gibberellic acid effects on yield and quality of a seedless red table grape for saving irrigation water supply , 2016 .
[30] Bradley S Moore,et al. Prioritizing Natural Product Diversity in a Collection of 146 Bacterial Strains Based on Growth and Extraction Protocols. , 2017, Journal of natural products.
[31] Carin Li,et al. CFM-ID 3.0: Significantly Improved ESI-MS/MS Prediction and Compound Identification , 2019, Metabolites.
[32] Hosein Mohimani,et al. Increased diversity of peptidic natural products revealed by modification-tolerant database search of mass spectra , 2018, Nature Microbiology.
[33] Lars Ridder,et al. Deciphering complex metabolite mixtures by unsupervised and supervised substructure discovery and semi-automated annotation from MS/MS spectra. , 2019, Faraday discussions.
[34] Marcel Kaiser,et al. Rhabdopeptide/Xenortide-like Peptides from Xenorhabdus innexi with Terminal Amines Showing Potent Antiprotozoal Activity. , 2018, Organic letters.
[35] Kristian Fog Nielsen,et al. Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking , 2016, Nature Biotechnology.
[36] Raoul J. Bino,et al. Spectral trees as a robust annotation tool in LC–MS based metabolomics , 2011, Metabolomics.
[37] Noureddin Sadawi,et al. ChemDistiller: an engine for metabolite annotation in mass spectrometry , 2018, Bioinform..
[38] Emma L. Schymanski,et al. MetFrag relaunched: incorporating strategies beyond in silico fragmentation , 2016, Journal of Cheminformatics.
[39] Michael Karas,et al. Structure elucidation and biosynthesis of lysine-rich cyclic peptides in Xenorhabdus nematophila. , 2011, Organic & biomolecular chemistry.
[40] Nigel W. Hardy,et al. Proposed minimum reporting standards for chemical analysis , 2007, Metabolomics.
[41] P. Shannon,et al. Cytoscape: a software environment for integrated models of biomolecular interaction networks. , 2003, Genome research.
[42] Mingxun Wang,et al. Propagating annotations of molecular networks using in silico fragmentation , 2018, PLoS Comput. Biol..
[43] A. Kinghorn,et al. Progress in the Chemistry of Organic Natural Products 102 , 2016 .
[44] An Pan,et al. α-Linolenic acid and risk of cardiovascular disease: a systematic review and meta-analysis. , 2012, The American journal of clinical nutrition.
[45] Ullrich Keller,et al. Biosynthetic rivalry of o-aminophenol-carboxylic acids initiates production of hemi-actinomycins in Streptomyces antibioticus , 2014 .
[46] Nuno Bandeira,et al. Mass spectral molecular networking of living microbial colonies , 2012, Proceedings of the National Academy of Sciences.
[47] P. Dorrestein,et al. Did a plant-herbivore arms race drive chemical diversity in Euphorbia? , 2018, bioRxiv.
[48] Ulrich Brandt,et al. Xentrivalpeptides A-Q: depsipeptide diversification in Xenorhabdus. , 2012, Journal of natural products.
[49] Evan Bolton,et al. ClassyFire: automated chemical classification with a comprehensive, computable taxonomy , 2016, Journal of Cheminformatics.
[50] J. Hohmann,et al. Euphorbia diterpenes: isolation, structure, biological activity, and synthesis (2008-2012). , 2014, Chemical reviews.
[51] Matej Oresic,et al. MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data , 2010, BMC Bioinformatics.
[52] Augustin Scalbert,et al. compMS2Miner: An Automatable Metabolite Identification, Visualization, and Data-Sharing R Package for High-Resolution LC-MS Data Sets. , 2017, Analytical chemistry.
[53] Franck Renucci,et al. Insights on profiling of phorbol, deoxyphorbol, ingenol and jatrophane diterpene esters by high performance liquid chromatography coupled to multiple stage mass spectrometry. , 2015, Journal of chromatography. A.
[54] H. Peter Linder,et al. Do Mediterranean‐type ecosystems have a common history?—Insights from the Buckthorn family (Rhamnaceae) , 2015, Evolution; international journal of organic evolution.
[55] S. Neumann,et al. CAMERA: an integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets. , 2012, Analytical chemistry.
[56] Hiromasa Kiyota,et al. Chemical and pharmacological research of the plants in genus Euphorbia. , 2008, Chemical reviews.
[57] K. Wurdack,et al. Phylogenetics and the evolution of major structural characters in the giant genus Euphorbia L. (Euphorbiaceae). , 2012, Molecular phylogenetics and evolution.
[58] D. Newman,et al. Natural Products as Sources of New Drugs from 1981 to 2014. , 2016, Journal of natural products.
[59] Neha Garg,et al. Dereplication of peptidic natural products through database search of mass spectra , 2016, Nature chemical biology.
[60] Errol G. Lewars,et al. A comparison of flavonoid glycosides by electrospray tandem mass spectrometry , 2006 .
[61] Michael P. Barrett,et al. Urinary antihypertensive drug metabolite screening using molecular networking coupled to high-resolution mass spectrometry fragmentation , 2016, Metabolomics.