Search results for "Metabolite"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
105	Cristina Cudalbu, Olivier Beuf, Sophie Cavassila	In Vivo Short Echo Time Localized 1H MRS of the Rat Brain at 7 T: Influence of Two Strategies of Background-accommodation on the Metabolite Concentration Estimation using QUEST.	J. Signal Process. Syst.	2009	DBLP DOI BibTeX RDF	Magnetic resonance spectroscopy, Brain metabolites, Macromolecular component handling, MRS acquisition, Signal processing, Quantification
71	Min Huang, Songtao Lu	Application of SVD-Based Metabolite Quantification Methods in Magnetic Resonance Spectroscopic Imaging.	MIAR	2006	DBLP DOI BibTeX RDF
53	Daniela Degenring, Mathias Röhl, Adelinde M. Uhrmacher	Discrete Event Simulation for a Better Understanding of Metabolite Channeling - A System Theoretic Approach.	CMSB	2003	DBLP DOI BibTeX RDF
51	Erik Saudek, Daniel Novák, Dita Wagnerová, Milan Hájek	Analysis of Human Brain NMR Spectra in Vivo Using Artificial Neural Networks.	ICANN (2)	2008	DBLP DOI BibTeX RDF
51	Matthias Nahrendorf, Karl-Heinz Hiller, Andreas Greiser, Sascha Köhler, Thomas Neuberger, Kai Hu, Christiane Waller, Georg Ertl, Axel Haase, Wolfgang R. Bauer	Magnetic Resonance Fusion Imaging of Chronic Myocardial Ischemia.	FIMH	2003	DBLP DOI BibTeX RDF
39	Jun Xue, Bingyi Wang, Hongchao Ji, Weihua Li 0006	RT-Transformer: retention time prediction for metabolite annotation to assist in metabolite identification.	Bioinform.	2024	DBLP DOI BibTeX RDF
39	Mehmet Direnç Mungan, Theresa Anisja Harbig, Naybel Hernandez Perez, Simone Edenhart, Evi Stegmann, Kay Nieselt, Nadine Ziemert	Secondary Metabolite Transcriptomic Pipeline (SeMa-Trap), an expression-based exploration tool for increased secondary metabolite production in bacteria.	Nucleic Acids Res.	2022	DBLP DOI BibTeX RDF
36	Geun-Cheol Lee, Jeff de Ropp, Mark R. Viant, David L. Woodruff, Ping Yu 0009	Heuristic Search for 2D NMR Alignment to Support Metabolite Identification.	ESCAPE	2007	DBLP DOI BibTeX RDF
36	Ari Rantanen, Hannu Maaheimo, Esa Pitkänen, Juho Rousu, Esko Ukkonen	Equivalence of Metabolite Fragments and Flow Analysis of Isotopomer Distributions for Flux Estimation.	Trans. Comp. Sys. Biology	2006	DBLP DOI BibTeX RDF
36	Jitian Guan, X. H. Xu, Yiqun Geng, X. J. Yu, R. H. Wu	In Vivo Proton Magnetic Resonance Spectroscopic Study of the Healthy Chinese Adult Pons.	BMEI (2)	2008	DBLP DOI BibTeX RDF	Proton magnetic resonance spectroscopy, Metabolite, Pons
34	Ali Cakmak 0001, Arun Dsouza, Richard W. Hanson, Gultekin Özsoyoglu, Z. Meral Özsoyoglu	A web-based data source for metabolomics.	ISCIS	2009	DBLP DOI BibTeX RDF
34	Sang Yup Lee	Systems Metabolic Engineering.	RECOMB	2008	DBLP DOI BibTeX RDF
34	Qinghua Zhou, Dan Wang, Momiao Xiong	Dynamic flux balance analysis of metabolic networks using the penalty function methods.	SMC	2007	DBLP DOI BibTeX RDF
34	Ralf Tautenhahn, Christoph Böttcher, Steffen Neumann	Annotation of LC/ESI-MS Mass Signals.	BIRD	2007	DBLP DOI BibTeX RDF
34	Oliver Fiehn, Gert Wohlgemuth, Martin Scholz	Setup and Annotation of Metabolomic Experiments by Integrating Biological and Mass Spectrometric Metadata.	DILS	2005	DBLP DOI BibTeX RDF
34	Stephen H. Muggleton	Machine Learning for Systems Biology.	ILP	2005	DBLP DOI BibTeX RDF
19	Meaghan V. Perdue, Marilena M. Demayo, Tiffany K. Bell, Elodie Boudes, Mercedes Bagshawe, Ashley D. Harris, Catherine Lebel	Changes in brain metabolite levels across childhood.	NeuroImage	2023	DBLP DOI BibTeX RDF
19	Noah R. Flynn, S. Joshua Swamidass	Message Passing Neural Networks Improve Prediction of Metabolite Authenticity.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
19	Susanta Das, Laleh Dinpazhoh, Kiyoto Aramis Tanemura, Kenneth M. Merz Jr.	Rapid and Automated Ab Initio Metabolite Collisional Cross Section Prediction from SMILES Input.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
19	Hongyan Gao, Jianqiang Sun, Yukun Wang, Yuer Lu, Liyu Liu, Qi Zhao, Jianwei Shuai	Predicting metabolite-disease associations based on auto-encoder and non-negative matrix factorization.	Briefings Bioinform.	2023	DBLP DOI BibTeX RDF
19	Cheng Wang, Chuang Yuan, Yahui Wang, Ranran Chen, Yuying Shi, Tao Zhang, Fuzhong Xue, Gary J. Patti, Leyi Wei, Qingzhen Hou	MPI-VGAE: protein-metabolite enzymatic reaction link learning by variational graph autoencoders.	Briefings Bioinform.	2023	DBLP DOI BibTeX RDF
19	Huixi Zou, Tianli Sun, Bangqun Jin, Shengqin Wang	sBGC-hm: an atlas of secondary metabolite biosynthetic gene clusters from the human gut microbiome.	Bioinform.	2023	DBLP DOI BibTeX RDF
19	Samuel Goldman, Jeremy Wohlwend, Martin Strazar, Guy Haroush, Ramnik J. Xavier, Connor W. Coley	Annotating metabolite mass spectra with domain-inspired chemical formula transformers.	Nat. Mac. Intell.	2023	DBLP DOI BibTeX RDF
19	Qiong Lai, Bingwen Zhou, Zhiming Cui, Xiaofei An, Lin Zhu, Zhengyu Cao, Shijia Liu, Boyang Yu	Development of a metabolite-based deep learning algorithm for clinical precise diagnosis of the progression of diabetic kidney disease.	Biomed. Signal Process. Control.	2023	DBLP DOI BibTeX RDF
19	Xiuhong Li, Hao Yuan, Xiaoliang Wu, Chengyi Wang, Meitao Wu, Hongbo Shi, Yingli Lv	MultiDS-MDA: Integrating multiple data sources into heterogeneous network for predicting novel metabolite-drug associations.	Comput. Biol. Medicine	2023	DBLP DOI BibTeX RDF
19	Liping Ren, Lin Ning, Yu Yang, Ting Yang, Xinyu Li, Shanshan Tan, Peixin Ge, Shun Li, Nanchao Luo, Pei Tao, Yang Zhang	MetaboliteCOVID: A manually curated database of metabolite markers for COVID-19.	Comput. Biol. Medicine	2023	DBLP DOI BibTeX RDF
19	Janani Manochkumar, Aswani Kumar Cherukuri, Raju Suresh Kumar, Abdulrahman I. Almansour, Siva Ramamoorthy, Thomas Efferth	A critical review of machine-learning for "multi-omics" marine metabolite datasets.	Comput. Biol. Medicine	2023	DBLP DOI BibTeX RDF
19	Rong Guo, Yudu Li, Yibo Zhao, Tianyao Wang, Yao Li 0010, Bradley P. Sutton, Zhi-Pei Liang	Simultaneous Mapping of Water Diffusion Coefficients and Metabolite Distributions of the Brain Using MR Spectroscopic Imaging Without Water Suppression.	IEEE Trans. Biomed. Eng.	2023	DBLP DOI BibTeX RDF
19	Peng Zhao, Simin Cheng, Yongxiang Feng, Fei Liang, Xinrong Zhang, Xiaoxiao Ma, Wenhui Wang	Automated and Miniaturized Pico-Liter Metabolite Extraction System for Single-Cell Mass Spectrometry.	IEEE Trans. Biomed. Eng.	2023	DBLP DOI BibTeX RDF
19	Isaline Guex, Christian Mazza, Manupriyam Dubey, Maxime Batsch, Renyi Li, Jan Roelof van der Meer	Regulated bacterial interaction networks: A mathematical framework to describe competitive growth under inclusion of metabolite cross-feeding.	PLoS Comput. Biol.	2023	DBLP DOI BibTeX RDF
19	Takeyuki Tamura, Ai Muto-fujita, Yukako Tohsato, Tomoyuki Kosaka	Gene Deletion Algorithms for Minimum Reaction Network Design by Mixed-Integer Linear Programming for Metabolite Production in Constraint-Based Models: gDel_minRN.	J. Comput. Biol.	2023	DBLP DOI BibTeX RDF
19	G. Vila, Axel Bonnet, F. Chauveau, S. Gaillard, F. Durand-Dubief, Sorina Camarasu-Pop, H. Ratiney	Computational Reproducibility in Metabolite Quantification Applied to Short Echo Time In Vivo MR Spectroscopy.	ISBI	2023	DBLP DOI BibTeX RDF
19	Hoi Yan Katharine Chau, Hongyu Ao, Xinran Zhang, Shijinqiu Gao, Rency S. Varghese, Habtom W. Ressom	Deep Learning Based Metabolite Annotation.	EMBC	2023	DBLP DOI BibTeX RDF
19	Yi Jia, Shanshan Zheng, Tingting He 0003, Xingpeng Jiang	Predicting Microbe-Metabolite Interactions by Integrating Non-negative Matrix Factorization and Generative Network.	BIBM	2023	DBLP DOI BibTeX RDF
19	Christel Sirocchi, Federica Biancucci, Matteo Donati, Nunzio D'Amore, Riccardo Benedetti, Alessandro Bogliolo, Stefano Ferretti, Mauro Magnani, Michele Menotta, Muhammad Suffian Nizami, Sara Montagna	Machine Learning-Enabled Prediction of Metabolite Response in Genetic Disorders (SHORT PAPER).	HC@AIxIA	2023	DBLP BibTeX RDF
19	Myungjae Kwak, Kyungwoo Kang, Yingfeng Wang	Methods of Metabolite Identification Using MS/MS Data.	J. Comput. Inf. Syst.	2022	DBLP DOI BibTeX RDF
19	Xiujuan Lei, Jiaojiao Tie, Yi Pan 0001	Inferring Metabolite-Disease Association Using Graph Convolutional Networks.	IEEE ACM Trans. Comput. Biol. Bioinform.	2022	DBLP DOI BibTeX RDF
19	Andrew Martin Wright, Saipavitra Murali-Manohar, Anke Henning	Quantitative T1-relaxation corrected metabolite mapping of 12 metabolites in the human brain at 9.4 T.	NeuroImage	2022	DBLP DOI BibTeX RDF
19	Parker Ladd Bremer, Arpana Vaniya, Tobias Kind, Shunyang Wang, Oliver Fiehn	How Well Can We Predict Mass Spectra from Structures? Benchmarking Competitive Fragmentation Modeling for Metabolite Identification on Untrained Tandem Mass Spectra.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
19	Jitong Feng, Shengbo Wu, Hongpeng Yang, Chengwei Ai, Jianjun Qiao, Junhai Xu, Fei Guo 0001	Microbe-bridged disease-metabolite associations identification by heterogeneous graph fusion.	Briefings Bioinform.	2022	DBLP DOI BibTeX RDF
19	Feiyue Sun, Jianqiang Sun, Qi Zhao	A deep learning method for predicting metabolite-disease associations via graph neural network.	Briefings Bioinform.	2022	DBLP DOI BibTeX RDF
19	Fei Wang, Dana Allen, Siyang Tian, Eponine Oler, Vasuk Gautam, Russell Greiner, Thomas O. Metz, David S. Wishart	CFM-ID 4.0 - a web server for accurate MS-based metabolite identification.	Nucleic Acids Res.	2022	DBLP DOI BibTeX RDF
19	Yingjun Ma, Yuanyuan Ma	Hypergraph-based logistic matrix factorization for metabolite-disease interaction prediction.	Bioinform.	2022	DBLP DOI BibTeX RDF
19	Xiaoting Hu, Yanhua Li, Weihong Xu, Yourong Chai	Effect of Nano Potassium Fertilizer on Cucumber Amino Acid Component, Volatile Metabolite Components and GLN Family Genes Expression.	Wirel. Pers. Commun.	2022	DBLP DOI BibTeX RDF
19	Xinmeng Li, Hao Zhu, Li-Ping Liu 0001, Soha Hassoun	Ensemble Spectral Prediction (ESP) Model for Metabolite Annotation.	CoRR	2022	DBLP DOI BibTeX RDF
19	Siddhartha Kundu	TemporalGSSA: A numerically robust R-wrapper to facilitate computation of a metabolite-specific and simulation time-dependent trajectory from stochastic simulation algorithm (SSA)-generated datasets.	J. Bioinform. Comput. Biol.	2022	DBLP DOI BibTeX RDF
19	Jean-Baptiste Caillau, Walid Djema, Jean-Luc Gouzé, Sofya Maslovskaya, Jean-Baptiste Pomet	Turnpike Property in Optimal Microbial Metabolite Production.	J. Optim. Theory Appl.	2022	DBLP DOI BibTeX RDF
19	Valerio Francesco Annese, Christos Giagkoulovits, Chunxiao Hu, Mohammed Al-Rawhani, James P. Grant, Samadhan B. Patil, David R. S. Cumming	Micromolar Metabolite Measurement in an Electronically Multiplexed Format.	IEEE Trans. Biomed. Eng.	2022	DBLP DOI BibTeX RDF
19	Anqi Chen, Mingyue Yan, Jiaxin Feng, Lei Bi 0003, La Chen, Shundi Hu, Huanhuan Hong, Lulu Shi, Gangqiang Li, Baiye Jin, Xinrong Zhang, Luhong Wen	Single Cell Mass Spectrometry With a Robotic Micromanipulation System for Cell Metabolite Analysis.	IEEE Trans. Biomed. Eng.	2022	DBLP DOI BibTeX RDF
19	Abdolrahim Yousefi-Darani, Olivier Paquet-Durand, Almut von Wrochem, Jens Classen, Jens Tränkle, Mario Mertens, Jeroen Snelders, Véronique Chotteau, Meeri Mäkinen, Alina Handl, Marvin Kadisch, Dietmar Lang, Patrick Dumas, Bernd Hitzmann	Generic Chemometric Models for Metabolite Concentration Prediction Based on Raman Spectra.	Sensors	2022	DBLP DOI BibTeX RDF
19	Ching-Yi Hsieh, Cheng-Hsuan Sung, Yi-Liang (Eric) Shen, Ying-Chieh Lai, Kuan-Ying Lu, Gigin Lin	Developing a Method to Estimate the Downstream Metabolite Signals from Hyperpolarized [1-13C]Pyruvate.	Sensors	2022	DBLP DOI BibTeX RDF
19	Philipp Wendering, Zoran Nikoloski	COMMIT: Consideration of metabolite leakage and community composition improves microbial community reconstructions.	PLoS Comput. Biol.	2022	DBLP DOI BibTeX RDF
19	Constantino A. García, Alberto Gil-de-la-Fuente, Coral Barbas, Abraham Otero	Probabilistic metabolite annotation using retention time prediction and meta-learned projections.	J. Cheminformatics	2022	DBLP DOI BibTeX RDF
19	Pei Li, Ying Xiao, Weizhong Zhao, Xingpeng Jiang, Xianjun Shen	Inferring microbe-metabolite interactions by heterogeneous network fusion based on graph convolution network.	BIBM	2022	DBLP DOI BibTeX RDF
19	Amir Akbari, Bernhard O. Palsson	Scalable computation of intracellular metabolite concentrations.	Comput. Chem. Eng.	2021	DBLP DOI BibTeX RDF
19	Justin Y. Lee, Britney Nguyen, Carlos Orosco, Mark P. Styczynski	SCOUR: a stepwise machine learning framework for predicting metabolite-dependent regulatory interactions.	BMC Bioinform.	2021	DBLP DOI BibTeX RDF
19	David Toubiana, Helena Maruenda	Guidelines for correlation coefficient threshold settings in metabolite correlation networks exemplified on a potato association panel.	BMC Bioinform.	2021	DBLP DOI BibTeX RDF
19	Silviya Ruseva, Inna Popova, Valentin Lozanov, Vanio Mitev	Insight into the Metabolite Pattern of Psoriasis: Correlation among Homocysteine, Methionine, and Polyamines.	Symmetry	2021	DBLP DOI BibTeX RDF
19	Noëlle van Biljon, Frances C. Robertson, Martha Holmes, Mark F. Cotton, Barbara Laughton, André J. W. van der Kouwe, Ernesta M. Meintjes, Francesca Little	Multivariate approach for longitudinal analysis of brain metabolite levels from ages 5-11 years in children with perinatal HIV infection.	NeuroImage	2021	DBLP DOI BibTeX RDF
19	Yenisel Cruz-Almeida, Eric C. Porges	Additional considerations for studying brain metabolite levels across pain conditions using proton magnetic resonance spectroscopy.	NeuroImage	2021	DBLP DOI BibTeX RDF
19	Tianyi Zhao, Jinxin Liu, Xi Zeng, Wei Wang, Sheng Li, Tianyi Zang, Jiajie Peng, Yang Yang	Prediction and collection of protein-metabolite interactions.	Briefings Bioinform.	2021	DBLP DOI BibTeX RDF
19	Heike Deutelmoser, Dominique Scherer, Hermann Brenner, Melanie Waldenberger, Karsten Suhre, Gabi Kastenmüller, Justo Lorenzo Bermejo	Robust Huber-LASSO for improved prediction of protein, metabolite and gene expression levels relying on individual genotype data.	Briefings Bioinform.	2021	DBLP DOI BibTeX RDF
19	Carl Beuchel, Holger Kirsten, Uta Ceglarek, Markus Scholz	Metabolite-Investigator: an integrated user-friendly workflow for metabolomics multi-study analysis.	Bioinform.	2021	DBLP DOI BibTeX RDF
19	Takeyuki Tamura	L1 Norm Minimal Mode-Based Methods for Listing Reaction Network Designs for Metabolite Production.	IEICE Trans. Inf. Syst.	2021	DBLP BibTeX RDF
19	Jumpei F. Yamagishi, Nen Saito, Kunihiko Kaneko	Adaptation of metabolite leakiness leads to symbiotic chemical exchange and to a resilient microbial ecosystem.	PLoS Comput. Biol.	2021	DBLP DOI BibTeX RDF
19	Fidele Ntie-Kang, Kiran K. Telukunta, Serge A. T. Fobofou, Victor Chukwudi Osamor, Samuel A. Egieyeh, Marilia Valli, Yannick Djoumbou Feunang, Maria Sorokina, Conrad Stork, Neann Mathai, Paul F. Zierep, Ana L. Chávez-Hernández, Miquel Duran-Frigola, Smith B. Babiaka, Romuald Tematio Fouedjou, Donatus B. Eni, Simeon Akame, Augustine B. Arreyetta-Bawak, Oyere T. Ebob, Jonathan A. Metuge, Boris D. Bekono, Mustafa A. Isa, Raphael Onuku, Daniel M. Shadrack, Thommas M. Musyoka, Vaishali M. Patil, Justin J. J. van der Hooft, Vanderlan da Silva Bolzani, José L. Medina-Franco, Johannes Kirchmair, Tilmann Weber, Özlem Tastan Bishop, Marnix H. Medema, Ludger A. Wessjohann, Jutta Ludwig-Müller	Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop.	J. Cheminformatics	2021	DBLP DOI BibTeX RDF
19	Agustín Gabriel Yabo, Jean-Baptiste Caillau, Jean-Luc Gouzé	Hierarchical MPC applied to bacterial resource allocation and metabolite synthesis.	CDC	2021	DBLP DOI BibTeX RDF
19	Yueyue Liu, Xiangnan Xu, Lingli Deng, Kian-Kai Cheng, Jingjing Xu, Daniel Raftery, Jiyang Dong	A Novel Network Modelling for Metabolite Set Analysis: A Case Study on CRC Metabolomics.	IEEE Access	2020	DBLP DOI BibTeX RDF
19	Atsuko Miyawaki-Kuwakado, Soichiro Komori, Fumihide Shiraishi	A Promising Method for Calculating True Steady-State Metabolite Concentrations in Large-Scale Metabolic Reaction Network Models.	IEEE ACM Trans. Comput. Biol. Bioinform.	2020	DBLP DOI BibTeX RDF
19	Robert A. Dromms, Justin Y. Lee, Mark P. Styczynski	LK-DFBA: a linear programming-based modeling strategy for capturing dynamics and metabolite-dependent regulation in metabolism.	BMC Bioinform.	2020	DBLP DOI BibTeX RDF
19	Laura A. Garrison, Jakub Vasícek, Alexander R. Craven, Renate Grüner, Noeska N. Smit, Stefan Bruckner	Interactive visual exploration of metabolite ratios in MR spectroscopy studies .	Comput. Graph.	2020	DBLP DOI BibTeX RDF
19	Eleftheria Dalmaris, Evangelia V. Avramidou, Aliki Xanthopoulou, Filippos A. Aravanopoulos	Dataset of Targeted Metabolite Analysis for Five Taxanes of Hellenic Taxus baccata L. Populations.	Data	2020	DBLP DOI BibTeX RDF
19	Thanh-Hoang Nguyen-Vo, Loc Nguyen, Nguyet Do, Thien-Ngan Nguyen, Khang Trinh, Hung Cao, Ly Le	Plant Metabolite Databases: From Herbal Medicines to Modern Drug Discovery.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
19	Noah R. Flynn, Na Le Dang, Michael D. Ward, S. Joshua Swamidass	XenoNet: Inference and Likelihood of Intermediate Metabolite Formation.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
19	Loïc Meunier, Pierre Tocquin, Luc Cornet, Damien Sirjacobs, Valérie Leclère, Maude Pupin, Philippe Jacques, Denis Baurain	Palantir: a springboard for the analysis of secondary metabolite gene clusters in large-scale genome mining projects.	Bioinform.	2020	DBLP DOI BibTeX RDF
19	Xiujuan Lei, Jiaojiao Tie, Hamido Fujita	Relational completion based non-negative matrix factorization for predicting metabolite-disease associations.	Knowl. Based Syst.	2020	DBLP DOI BibTeX RDF
19	Hadi Beitollahi, Somayeh Tajik, Zahra Dourandish, Kaiqiang Zhang, Quyet Van Le, Ho Won Jang, Soo Young Kim, Mohammadreza Shokouhimehr	Recent Advances in the Aptamer-Based Electrochemical Biosensors for Detecting Aflatoxin B1 and Its Pertinent Metabolite Aflatoxin M1.	Sensors	2020	DBLP DOI BibTeX RDF
19	Omid Bazgir, Eric A. Walden, Brian Nutter, Sunanda Mitra	A Novel Data-Driven Magnetic Resonance Spectroscopy Signal Analysis Framework to Quantify Metabolite Concentration.	Algorithms	2020	DBLP DOI BibTeX RDF
19	Xiujuan Lei, Cheng Zhang	Predicting Metabolite-Disease Associations Based on Linear Neighborhood Similarity with Improved Bipartite Network Projection Algorithm.	Complex.	2020	DBLP DOI BibTeX RDF
19	Manish Chauhan, Anthony Buckley, Animesh Jha, Mark Wilcox, Venkatraman Subramaniam, Pietro Valdastri	Metabolite Identification of Helicobacter Pylori Supernatant Using Near-IR Raman Spectroscopy.	ICTON	2020	DBLP DOI BibTeX RDF
19	Yahang Li, Zepeng Wang 0001, Fan Lam	Separation of Metabolite and Macromolecule Signals for 1 H-Mrsi Using Learned Nonlinear Models.	ISBI	2020	DBLP DOI BibTeX RDF
19	Yifan Chen, Megan E. Barefoot, Rency S. Varghese, Kuijun Wang, Cristina Di Poto, Habtom W. Ressom	Integrative Analysis to Identify Race-Associated Metabolite Biomarkers for Hepatocellular Carcinoma.	EMBC	2020	DBLP DOI BibTeX RDF
19	Xiujuan Lei, Cheng Zhang	Predicting metabolite-disease associations based on KATZ model.	BioData Min.	2019	DBLP DOI BibTeX RDF
19	Youngja Park, Taewoon Kong, James R. Roede, Dean P. Jones, Kichun Lee 0001	A biplot correlation range for group-wise metabolite selection in mass spectrometry.	BioData Min.	2019	DBLP DOI BibTeX RDF
19	M. Shaffer, K. Thurimella, Kevin Quinn 0004, K. Doenges, X. Zhang, S. Bokatzian, Nichole Reisdorph, Catherine A. Lozupone	AMON: annotation of metabolite origins via networks to integrate microbiome and metabolome data.	BMC Bioinform.	2019	DBLP DOI BibTeX RDF
19	Kai Blin, Hyun Uk Kim, Marnix H. Medema, Tilmann Weber	Recent development of antiSMASH and other computational approaches to mine secondary metabolite biosynthetic gene clusters.	Briefings Bioinform.	2019	DBLP DOI BibTeX RDF
19	Dai Hai Nguyen, Canh Hao Nguyen, Hiroshi Mamitsuka	Recent advances and prospects of computational methods for metabolite identification: a review with emphasis on machine learning approaches.	Briefings Bioinform.	2019	DBLP DOI BibTeX RDF
19	Kai Blin, Simon Shaw, Katharina Steinke, Rasmus Villebro, Nadine Ziemert, Sang Yup Lee, Marnix H. Medema, Tilmann Weber	antiSMASH 5.0: updates to the secondary metabolite genome mining pipeline.	Nucleic Acids Res.	2019	DBLP DOI BibTeX RDF
19	Kai Blin, Victòria Pascal Andreu, Emmanuel L. C. de los Santos, Francesco Del Carratore, Sang Yup Lee, Marnix H. Medema, Tilmann Weber	The antiSMASH database version 2: a comprehensive resource on secondary metabolite biosynthetic gene clusters.	Nucleic Acids Res.	2019	DBLP DOI BibTeX RDF
19	Oriol Senan, Antoni Aguilar-Mogas, Miriam Navarro, Jordi Capellades, Luke Noon, Deborah Burks, Oscar Yanes, Roger Guimerà, Marta Sales-Pardo	CliqueMS: a computational tool for annotating in-source metabolite ions from LC-MS untargeted metabolomics data based on a coelution similarity network.	Bioinform.	2019	DBLP DOI BibTeX RDF
19	Gabriele Sales, Enrica Calura, Chiara Romualdi	metaGraphite-a new layer of pathway annotation to get metabolite networks.	Bioinform.	2019	DBLP DOI BibTeX RDF
19	Dai Hai Nguyen, Canh Hao Nguyen, Hiroshi Mamitsuka	ADAPTIVE: leArning DAta-dePendenT, concIse molecular VEctors for fast, accurate metabolite identification from tandem mass spectra.	Bioinform.	2019	DBLP DOI BibTeX RDF
19	Xiaotao Shen, Zheng-Jiang Zhu	MetFlow: an interactive and integrated workflow for metabolomics data cleaning and differential metabolite discovery.	Bioinform.	2019	DBLP DOI BibTeX RDF
19	Ramtin Hosseini, Neda Hassanpour, Li-Ping Liu 0001, Soha Hassoun	Pathway Activity Analysis and Metabolite Annotation for Untargeted Metabolomics using Probabilistic Modeling.	CoRR	2019	DBLP BibTeX RDF
19	Shengqin Wang, Zhihong Zheng, Huixi Zou, Nan Li, Mingjiang Wu	Characterization of the secondary metabolite biosynthetic gene clusters in archaea.	Comput. Biol. Chem.	2019	DBLP DOI BibTeX RDF
19	Anika Küken, Jeanne M. O. Eloundou-Mbebi, Georg Basler, Zoran Nikoloski	Cellular determinants of metabolite concentration ranges.	PLoS Comput. Biol.	2019	DBLP DOI BibTeX RDF
19	Vikash Pandey, Noushin Hadadi, Vassily Hatzimanikatis	Enhanced flux prediction by integrating relative expression and relative metabolite abundance into thermodynamically consistent metabolic models.	PLoS Comput. Biol.	2019	DBLP DOI BibTeX RDF
19	Yuan-Hao Hsu, Claire Churchhouse, Tune H. Pers, Josep M. Mercader, Andres Metspalu, Krista Fischer, Kristen Fortney, Eric K. Morgen, Clicerio Gonzalez, Maria E. Gonzalez, Tõnu Esko, Joel Hirschhorn	PAIRUP-MS: Pathway analysis and imputation to relate unknowns in profiles from mass spectrometry-based metabolite data.	PLoS Comput. Biol.	2019	DBLP DOI BibTeX RDF
19	Jeremy R. Ash, Mélaine A. Kuenemann, Daniel M. Rotroff, Alison A. Motsinger-Reif, Denis Fourches	Cheminformatics approach to exploring and modeling trait-associated metabolite profiles.	J. Cheminformatics	2019	DBLP DOI BibTeX RDF
19	Yannick Djoumbou Feunang, Jarlei Fiamoncini, Alberto Gil-de-la-Fuente, Russell Greiner, Claudine Manach, David S. Wishart	BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification.	J. Cheminformatics	2019	DBLP DOI BibTeX RDF