NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products
Kim, Hyun Woo, Wang, Mingxun, Leber, Christopher A., Nothias, Louis-Félix, Reher, Raphael, Kang, Kyo Bin, van der Hooft, Justin J. J., Dorrestein, Pieter C. +2 more·2021·Journal of Natural Products
Cited by (538)
Items 101–200 of 538
- Tree phytochemical diversity and herbivory are higher in the tropicsLu Sun, Yunyun He, Min Cao, Xuezhao Wang, Xiang Zhou, Jie Yang, Nathan G. Swenson · 2024 · Nature Ecology & Evolution
- Natural variation in root exudate composition in the genetically structured Arabidopsis thaliana in the Iberian PeninsulaHarihar Jaishree Subrahmaniam, F. Xavier Picó, Thomas M Bataillon, Camilla Lind Salomonsen, Marianne Glasius, Bodil Ehlers · 2024 · New Phytologist
- Advances in AI-based strategies and tools to facilitate natural product and drug developmentBuddha Bahadur Basnet, Zhen‐Yi Zhou, Bin Wei, Hong Wang · 2025 · Critical Reviews in Biotechnology
- A substrate-multiplexed platform for profiling enzymatic potential of plant family 1 glycosyltransferasesSasilada Sirirungruang, Vincent Blay, Elys P. Rodríguez, Yasmine F Scott, Khanh M. Vuu, Collin R. Barnum, Paul H. Opgenorth, Fanzhou Kong, Yuanyue Li, Oliver Fiehn et al. · 2025 · Nature Communications
- The biosynthesis and diversity of taxanes: From pathway elucidation to engineering and synthetic biologyJingcheng Shi, Caibin Zhang, Rui Deng, Alisdair Robert Fernie, Mo‐Xian Chen, Youjun Zhang · 2025 · Plant Communications
- Targeting the untargeted: Uncovering the chemical complexity of root exudatesAnnalena Ritter, Péter Becker, Katrin Möller, Dirk Granse, Kai Arne Jensen, Ina Christin Meier, Harihar Jaishree Subrahmaniam · 2025 · Plant and Soil
- The reduction of environmentally abundant iron oxides by the methanogen Methanosarcina barkeriEfrat Eliani Russak, Zohar Tik, Shaked Uzi, Michaël M. Meijler, Orit Sivan · 2023 · Frontiers in Microbiology
- Importance of quorum sensing crosstalk in the brown alga Saccharina latissima epimicrobiomeÉmilie Adouane, Camille Mercier, Jeanne Mamelle, Emma Willocquet, Laurent Intertaglia, Bertille Burgunter‐Delamare, Catherine Leblanc, Sylvie Rousvoal, Raphaël Lami, Soizic Prado · 2024 · iScience
- Investigation of the antimycobacterial activity of African medicinal plants combined with chemometric analysis to identify potential leadsPhanankosi Moyo, Michael Ofori, Olusola Bodede, Madelien Wooding, Ndivhuwo Kevin Khorommbi, Lyndy Joy McGaw, Cynthia Amaning Danquah, Vinesh Jaichand Maharaj · 2024 · Scientific Reports
- Predicting Antimicrobial Class Specificity of Small Molecules Using Machine LearningYojana Gadiya, Olga Genilloud, Ursula Bilitewski, Mark Brönstrup, Leonie von Berlin, Marie Attwood, Philip M. Gribbon, Andrea Zaliani · 2025 · Journal of Chemical Information and Modeling
- Defining the limits of plant chemical space: challenges and estimationsChloe Engler Hart, Yojana Gadiya, Tobias Kind, Christoph A. Krettler, Matthew Gaetz, Biswapriya B. Misra, David Healey, August Allen, Viswa Colluru, Daniel Domingo‐Fernándéz · 2025 · GigaScience
- Microbial bioremediation of persistent organic pollutants in plant tissues provides crop growth promoting liquid fertilizerJames Butcher, Claire Villette, Julie Zumsteg, Loïc Maurer, Thierry Barchietto, Richard Rigo, Kevin Floch, Anita Cseh, Sergej Buchet, Alain Stintzi et al. · 2025 · Nature Communications
- Deciphering Complex Natural Mixtures through Metabolome Mining of Mass Spectrometry DataJustin J. J. van der Hooft, Madeleine Ernst, Daniel Papenberg, Kyo Bin Kang, Iris F. Kappers, Marnix H. Medema, Pieter C. Dorrestein, Simon Rogers · 2023 · Wiley eBooks
- Critical Review of Plant-Derived Compounds as Possible Inhibitors of SARS-CoV-2 Proteases: A Comparison with Experimentally Validated MoleculesYasel Guerra, Diana Celi, Paúl Cueva, Yunierkis Pérez‐Castillo, Francesca Giampieri, José M. Álvarez-Suárez, Eduardo Tejera · 2022 · ACS Omega
- Cynipid wasps systematically reprogram host metabolism and restructure cell walls in developing gallsKasey Markel, Vlastimil Novák, Benjamin P. Bowen, Yang Tian, Yi-Chun Chen, Sasilada Sirirungruang, Andy Zhou, Katherine Louie, Trent R. Northen, Aymerick Eudes et al. · 2024 · PLANT PHYSIOLOGY
- Herptile gut microbiomes: a natural system to study multi-kingdom interactions between filamentous fungi and bacteriaLluvia Vargas‐Gastélum, Alexander S. Romer, Marjan Ghotbi, Jason W. Dallas, N. Reed Alexander, Kylie C. Moe, Kerry L. McPhail, George F. Neuhaus, Leila Shadmani, Joseph W. Spatafora et al. · 2024 · mSphere
- Chemical Multiverse and Diversity of Food ChemicalsJuan F. Avellaneda-Tamayo, Ana L. Chávez‐Hernández, Diana L. Prado‐Romero, José L. Medina‐Franco · 2024 · Journal of Chemical Information and Modeling
- Phytochemical diversity and their adaptations to abiotic and biotic pressures in fine roots across a climatic gradientYazhou Zhang, Samantha J. Worthy, Shijia Xu, Yunyun He, Xuezhao Wang, Xiaoyang Song, Min Cao, Jie Yang · 2024 · The Science of The Total Environment
- Natural drugs: Trends, properties, and decline in FDA approvalsTyler M. Rose, Monika Baranek, Maryam Kaka, Sarah Shwani · 2024 · Journal of Pharmaceutical Sciences
- In Situ Capture and Real-Time Enrichment of Marine Chemical DiversityMorgane Mauduit, Marie Derrien, Marie Grenier, Stéphane Greff, Sacha Molinari, Pierre Chevaldonné, Charlotte Simmler, Thierry Pérez · 2023 · ACS Central Science
- Bioactive Metabolites of Dioscorea Species and Their Potential Applications in Functional Food DevelopmentPengcheng Wang, Yashi Wang, Shiqi Liu, Kai Wang, Yuxuan Yao, Weizhen Liu, Donghui Li, Wei Wang, Bin Li, Yupei Yang · 2025 · Foods
- Synergistic antifungal effects of botanical extracts against Candida albicansEunjin Cho, Kenneth Acosta, Joshua Matthew Henkin, Rinat R. Abzalimov, Ilya Raskin · 2026 · PLoS ONE
- Automated Composition Assessment of Natural Extracts: Untargeted Mass Spectrometry-Based Metabolite Profiling Integrating Semiquantitative DetectionAdriano Rutz, Jean‐Luc Wolfender · 2023 · Journal of Agricultural and Food Chemistry
- Natural Products Dereplication: Databases and Analytical MethodsIgnacio Pérez‐Victoria · 2024 · Fortschritte der Chemie Organischer Naturstoffe/Fortschritte der Chemie organischer Naturstoffe/Progress in the chemistry of organic natural products
- A deep dive into plant metabolomics: Milestones, technologies, and translational impactMegha Rai, Mainak Dutta, Kazuki Saito, Amit Rai · 2025 · PLANT PHYSIOLOGY
- Systematic study of polymer gas sampling bags for offline analysis of exhaled breathMateusz Fido, Simone Hersberger, Andreas T. Güntner, Renato Zenobi, Stamatios Giannoukos · 2024 · Journal of Breath Research
- MS2Mol: A transformer model for illuminating dark chemical space from mass spectraThomas Butler, Abraham Frandsen, Rose Lightheart, Brian Bargh, Thomas Kerby, Kiana West, Joseph Davison, James Taylor, Christoph A. Krettler, TJ Bollerman et al. · 2023 · ChemRxiv
- Mass spectrometry-based metabolomics approaches to interrogate host–microbiome interactions in mammalian systemsAtharva S. Kulkarni, Guilherme Carrara Moreira Paiva, Jiangpeiyun Jin, Jarrod A. Laro, Thilini Peramuna, Laura‐Isobel McCall, Neha Garg · 2025 · Natural Product Reports
- Toward a unified pipeline for natural product discovery: tools and strategies for NRPS and PKS pathway exploration and engineeringBiyan Chen, Emre Fatih Bülbül, Seounggun Bang, Hannah A. Minas, Kenan A. J. Bozhüyük · 2025 · Natural Product Reports
- Development of Non-Targeted Mass Spectrometry Method for Distinguishing Spelt and WheatKapil Nichani, Steffen Uhlig, Bertrand Colson, Karina Hettwer, Kirsten Simon, Josephine Bönick, Carsten Uhlig, Sabine Kemmlein, Manfred Stoyke, Petra Gowik et al. · 2022 · Foods
- Comparative metabolomic study of fungal foliar endophytes and their long-lived host Astrocaryum sciophilum: a model for exploring the chemodiversity of host-microbe interactionsLéonie Pellissier, Arnaud Gaudry, Salomé Vilette, Nicole Lecoultre, Adriano Rutz, Pierre‐Marie Allard, Laurence Marcourt, Emerson Ferreira Queiroz, Jérôme Chave, Véronique Éparvier et al. · 2023 · Frontiers in Plant Science
- Comparative genomic and metabolomic study of three Streptomyces sp. differing in biological activityAlisson Gillon, Ola Abdelrahman, Eliane Abou‐Mansour, Floriane L’Haridon, Laurent Falquet, Pierre‐Marie Allard, Laure Weisskopf · 2023 · MicrobiologyOpen
- Computational Approaches to Enzyme Inhibition by Marine Natural Products in the Search for New DrugsFederico Gago · 2023 · Marine Drugs
- MS2Mol: A transformer model for illuminating dark chemical space from mass spectraThomas Butler, Abraham Frandsen, Rose Lightheart, Brian Bargh, James Taylor, TJ Bollerman, Thomas Kerby, Kiana West, Gennady Voronov, Kevin Moon et al. · 2023 · ChemRxiv
- Comprehensive mass spectrometric metabolomic profiling of a chemically diverse collection of plants of the Celastraceae familyLuis-Manuel Quirós-Guerrero, Pierre‐Marie Allard, Louis-Félix Nothias-Scaglia, Bruno David, Antonio Grondin, Jean‐Luc Wolfender · 2024 · Scientific Data
- Advancement in Metabolomics Research via Tools, Databases, and Packages: A Cancer PerspectiveSaurav Kumar Mishra, Mamoudou Hamadou, Pragya Rai, Priya Mukhia, Kusum Gurung, Tabsum Chhetri, John J. Georrge · 2026 · Archives of Computational Methods in Engineering
- Artificial intelligence-based screening of phytochemicals for targeted cancer therapyLívia Ramos Santiago, Estéfani Alves Asevedo, Maria Cristina Ferreira de Oliveira, Karen Cota Pereira, Maria Fernanda da Silva Trindade, Ana Gabriela Silva Oliveira, Marina Andrade Rocha, 강소진, Amama Rani, Moon Nyeo Park et al. · 2026 · Natural Products and Bioprospecting
- Variation in insect herbivory across an urbanization gradient: The role of abiotic factors and leaf secondary metabolitesXoaquín Moreira, Astrid Van den Bossche, Karlien Moeys, Koenraad Van Meerbeek, Arno Thomaes, Carla Vázquez‐González, Luis Abdala‐Roberts, Jörg Brunet, Sara A. O. Cousins, Emmanuel Défossez et al. · 2024 · Plant Physiology and Biochemistry
- Push–Pull Intercropping Increases the Antiherbivore Benzoxazinoid Glycoside Content in Maize Leaf TissueJakob Lang, Sergio E. Ramos, Linus Reichert, Grace Mercy Amboka, Celina Apel, Frank Chidawanyika, Andargachew Detebo, Felipe Librán‐Embid, David Meinhof, Laurent Bigler et al. · 2024 · ACS Agricultural Science & Technology
- Protective Effects of a Polyherbal Mixture on Intestinal Injury via the NF-κB Signaling Pathway and Gut Microbiota Modulation in Hyperuricemic MiceHaoluan Wang, Yu Xi, Fei Gu, Linlin Peng, Jian Li · 2025 · Foods
- Multiple glutathione-S-transferases detoxify diverse glucosinolate-based defenses of Brassicales plants in a generalist lepidopteran herbivore (Spodoptera littoralis)Ruo Sun, Samantha C. W. Römhild, Yoko Nakamura, Michael Reichelt, Katrin Luck, Duc Tam Mai, Beate Rothe, Jonathan Gershenzon, Daniel Giddings Vassão · 2025 · Communications Biology
- An Assessment of Chemical Diversity in Microbial Natural ProductsRoger G. Linington · 2025 · ACS Central Science
- Feature-Based Molecular Networking—An Exciting Tool to Spot Species of the Genus Cortinarius with Hidden PhotosensitizersFabian J. Hammerle, Luis-Manuel Quirós-Guerrero, Adriano Rutz, Jean‐Luc Wolfender, Harald Schöbel, Ursula Peintner, Bianka Siewert · 2021 · Metabolites
- A deep learning model for type II polyketide natural product prediction without sequence alignmentJiaquan Huang, Qiandi Gao, Ying Tang, Yaxin Wu, Heqian Zhang, Zhiwei Qin · 2023 · Digital Discovery
- Computational Methods Reveal a Series of Cyclic and Linear Lichenysins and Surfactins from the Vietnamese Marine Sediment-Derived Streptomyces Strain G222Andrea Castaldi, Bich Ngan Truong, Quyen Thi Vu, Thi Hong Minh Le, Arul Marie, Gaël Le Pennec, Florent Rouvier, Jean Michel Brunel, Arlette Longeon, Van Cuong Pham et al. · 2024 · Molecules
- Relation Extraction in Underexplored Biomedical Domains: A Diversity-optimized Sampling and Synthetic Data Generation ApproachMaxime Delmas, Magdalena Wysocka, André Freitas · 2024 · Computational Linguistics
- Circadian migrations of cave-dwelling crustaceans guided by their home chemical seascapeMarie Derrien, Mathieu Santonja, Stéphane Greff, Soizic Figueres, Charlotte Simmler, Pierre Chevaldonné, Thierry Pérez · 2024 · Frontiers in Marine Science
- Development and thorough evaluation of a multi-omics sample preparation workflow for comprehensive LC-MS/MS-based metabolomics, lipidomics and proteomics datasetsLana Brockbals, Maiken Ueland, Shanlin Fu, Matthew Paul Padula · 2024 · Talanta
- Genetic and environmental drivers of intraspecific variation in foliar metabolites in a tropical tree communityYunyun He, Robert R. Junker, Jianhua Xiao, Jesse R. Lasky, Min Cao, Mengesha Asefa, Nathan G. Swenson, Guorui Xu, Jie Yang, Brian E. Sedio · 2025 · New Phytologist
- Easy Structural Dereplication of Natural Products by Means of Predicted Carbon‐13 Nuclear Magnetic Resonance Spectroscopy Data**Stefan Kühn, Jean‐Marc Nuzillard · 2022 · Chemistry - Methods
- Metabolomic Evenness Underlies Intraspecific Differences Among Lineages of a Wetland GrassAna L. Salgado, Andrea E. Glassmire, Brian E. Sedio, Rodrigo Díaz, Michael Joseph Stout, Jan Čuda, Petr Pyšek, Laura A. Meyerson, James T. Cronin · 2023 · Journal of Chemical Ecology
- MS2Mol: A transformer model for illuminating dark chemical space from mass spectraThomas Butler, Abraham Frandsen, Rose Lightheart, Brian Bargh, TJ Bollerman, Thomas Kerby, Kiana West, Gennady Voronov, Kevin Moon, Tobias Kind et al. · 2023 · ChemRxiv
- Charting the undiscovered metabolome with synthetic multiplexing implicates ibuprofen-carnitine in myotoxicityAbubaker Patan, Shipei Xing, Vincent Charron‐Lamoureux, Zhewen Hu, Victoria Deleray, Julius Agongo, Jasmine Zemlin, Harsha Gouda, Prajit Rajkumar, Yasin El Abiead et al. · 2025 · bioRxiv (Cold Spring Harbor Laboratory)
- Antibacterial Activities and Life Cycle Stages of Asparagopsis armata: Implications of the Metabolome and MicrobiomeChristelle Parchemin, Delphine Raviglione, Anouar Mejait, Pierre Sasal, Elisabeth Faliex, Camille Clérissi, Nathalie Tapissier‐Bontemps · 2023 · Marine Drugs
- Organic matter composition fluctuations disrupt free-living bacterial communities more than particle-associated bacterial communities in coastal watersShujing Liu, Quanrui Chen, Liu Le, Changjie Dong, Xuanyun Qiu, Kai Tang · 2024 · The Science of The Total Environment
- Network Topology Evaluation and Transitive Alignments for Molecular NetworkingXianghu Wang, Michael J. Strobel, Allegra T. Aron, Vanessa V. Phelan, Deepa D. Acharya, Christopher J. Brown, Kenneth D. Clevenger, Jie Kate Hu, Ashley M. Kretsch, Elizabeth H. Mahood et al. · 2024 · Journal of the American Society for Mass Spectrometry
- Multi-omics analysis of the correlation between surface microbiome and metabolome in Saccharina latissima (Laminariales, Phaeophyceae)Émilie Adouane, Cédric Hubas, Catherine Leblanc, Raphaël Lami, Soizic Prado · 2025 · FEMS Microbiology Ecology
- Untargeted Metabolomics Analysis Reveals Differential Accumulation of Flavonoids Between Yellow-Seeded and Black-Seeded Rapeseed VarietiesShulin Shen, Yunshan Tang, Daiqin Liu, Lulu Chen, Yi Zhang, Kaijie Ye, Fujun Sun, Xingzhi Wei, Hai Du, Huiyan Zhao et al. · 2025 · Plants
- Impact of salicylic acid elicitation on the growth, photosynthesis, and metabolites of Bacopa monnieri (L.) Pennell growing in a hydroponic control systemChigateri M. Vinay, Devija N Shetty, Kannath U. Sanjay, Neeharika Narisepalli Venkatasai, Padmalatha S Rai · 2025 · Scientia Horticulturae
- Testing the role of biotic interactions in shaping elevational diversity gradients: An ecological metabolomics approachD. Henderson, J. Sebastián Tello, Leslie Cayola, A C., Belen Alvestegui, Nathan C. Muchhala, Brian E. Sedio, Jonathan A. Myers · 2025 · Ecology
- Reduced methane emissions in transgenic rice genotypes are associated with altered rhizosphere microbial hydrogen cyclingLing-Dong Shi, María Florencia Ercoli, Junhyeong Kim, Artur Teixeira de Araújo, Katerina Estera‐Molina, Subah Soni, Tracy Satomi Weitz, Alexandra M. Shigenaga, Ilija Dukovski, Rohan Sachdeva et al. · 2026 · Nature Communications
- Decoding the molecular interplay in the central dogma: An overview of mass spectrometry‐based methods to investigate protein‐metabolite interactionsPaolo Stincone, Amira Naimi, Anthony J. Saviola, Raphael Reher, Daniel Petras · 2023 · PROTEOMICS
- Identification, annotation and toxicity estimation of organic pollutants in human serum via non-target analysisYuqian Li, Yajing Yang, Xuebin Wang · 2024 · Environmental Pollution
- Interpretable ontology extension in chemistryMartin Glauer, Adel Memariani, Fabian Neuhaus, Till Mossakowski, Janna Hastings · 2023 · Semantic Web
- MS2Mol: A transformer model for illuminating dark chemical space from mass spectraThomas Butler, Abraham Frandsen, Rose Lightheart, Brian Bargh, James Taylor, TJ Bollerman, Thomas Kerby, Kiana West, Gennady Voronov, Kevin Moon et al. · 2023 · ChemRxiv
- Passive accumulation of alkaloids in inconspicuously colored frogs refines the evolutionary paradigm of acquired chemical defensesRebecca D. Tarvin, Jeffrey L. Coleman, David A. Donoso, Mileidy Betancourth‐Cundar, Karem López-Hervas, Kimberly S Gleason, J Ryan Sanders, Jacqueline Smith, Santiago R. Ron, Juan C. Santos et al. · 2024 · eLife
- Integrative Modeling of Urinary Metabolomics and Metal Exposure Reveals Systemic Impacts of Electronic Waste in Exposed PopulationsFiona Hui, Zhiqiang Pang, Charles Viau, Gerd Ulrich Balcke, Julius Najah Fobil, Niladri Basu, Jianguo Xia · 2025 · Metabolites
- The undiscovered natural product potential of ActinomycetesAndrés Mauricio Caraballo‐Rodríguez, Andrés Cumsille, Sarolt Magyari, María Taboada-Alquerque, Bahar Behsaz, Tiago Leão, Kirk D. Broders, Yasin El Abiead, Jason A. Clement, Vincent Charron‐Lamoureux et al. · 2025 · The Journal of Antibiotics
- Highlighting the Phototherapeutical Potential of Fungal Pigments in Various Fruiting Body Extracts with Informed Feature-Based Molecular NetworkingFabian J. Hammerle, Luis-Manuel Quirós-Guerrero, Jean‐Luc Wolfender, Ursula Peintner, Bianka Siewert · 2023 · Microbial Ecology
- Data Base similarity (DBsimilarity) of natural products to aid compound identification on MS and NMR pipelines, similarity networking, and moreRicardo M. Borges, Gabriela de Assis Ferreira, Mariana Martins Campos, Andrew Magno Teixeira, Aline Camargo Jesus de Souza Wuillda, Fernanda O. Chagas, Fernanda O. Chagas · 2023 · Phytochemical Analysis
- Functional metabolomics of the human scalp: a metabolic niche for Staphylococcus epidermidisLouis-Félix Nothias-Scaglia, Robin Schmid, Allison Garlet, Hunter James Cameron, Sabrina Okombi, Valérie Frei, Regine Fuchs, Pieter C. Dorrestein, Philipp Ternes · 2024 · mSystems
- Combined LC-MS/MS feature grouping, statistical prioritization, and interactive networking in msFeaSTKevin Mildau, Christoph Büschl, Jürgen Zanghellini, Justin J. J. van der Hooft · 2024 · Bioinformatics
- Engineered reduction of S-adenosylmethionine alters lignin in sorghumYang Tian, Yu Gao, Halbay Turumtay, Emine Akyüz Turumtay, Yen Ning Chai, Hemant Choudhary, Joon-Hyun Park, Chuan-Yin Wu, Christopher M. De Ben, Jutta Dalton et al. · 2024 · Biotechnology for Biofuels and Bioproducts
- The Molecules Gateway: A Homogeneous, Searchable Database of 150k Annotated Molecules from ActinomycetesMatteo Simone, Marianna Iorio, Paolo Monciardini, Massimo Santini, Niccolò Cantù, Arianna Tocchetti, Stefania Serina, Cristina Brunati, Thomas Vernay, Andrea Gentile et al. · 2024 · Journal of Natural Products
- Metabolite Profiling of Soy By-Products: A Comprehensive ApproachFelipe Sanchez Bragagnolo, Gerardo Álvarez‐Rivera, Márcia Cristina Breitkreitz, Elena Ibáñez, Alejandro Cifuentes, Cristiano Soleo Funari · 2022 · Journal of Agricultural and Food Chemistry
- Shallow- and Deep-Water Ophiura Species Produce a Panel of Chlorin Compounds with Potent Photodynamic Anticancer ActivitiesAntonina Klimenko, Robin Huber, Laurence Marcourt, Dmitry Tabakaev, Alexey Koval, Salim Sh. Dautov, Даутова Татьяна Николаевна, Jean‐Luc Wolfender, Rob Thew, Yu. S. Khotimchenko et al. · 2023 · Antioxidants
- Mass Spectral Data of Primary and Secondary Metabolites Changes in Medicinal Plants by Solvent PolarityJin‐Young Park, Jiho Lee, C.-H. Cho, Dong Kyo Lee, Woohyun Song, Kyeongwon Choi, Seong Yeon Choi, Heejung Yang · 2025 · Scientific Data
- Determination of Flavonoid Glycoside Isomers Using Vision Transformer and Tandem Mass SpectrometryJi In Park, Myeong Ji Kim, Kyu Hyeong Lee, Seung Hyun Oh, Young Hoon Kang, Hyun Woo Kim · 2024 · Plants
- Describing the complex chemistry of benthic seawater: from exometabolite sampling strategies to MS-based metabolomicsMorgane Mauduit, Stéphane Greff, Marie Derrien, Charlotte Simmler · 2025 · Natural Product Reports
- Multilayered visual metabolomics analysis framework for enhanced exploration of functional components in wolfberryShiqi Chen, Yifan Li, Huixia Zhang, Jingguang Li, Yang Liu, Qi‐Qi Wang, Shuai Zhang, Pengjie Luo, Hongping Wang, Haiyang Jiang · 2025 · Food Chemistry
- Elevation drives intraspecific metabolomic differentiation in natural and experimental populationsHanna A. Nomoto, Pilar Fernández‐Conradi, Nadline Kjelsberg, Emmanuel Défossez, Zuzana Münzbergová, Gaétan Glauser, Sergio Rasmann · 2025 · Plant Biology
- Chemical Composition and Biological Activities of Pelargonium sp.: A Review with In Silico Insights into Potential Anti-Inflammatory MechanismDiana Celi, Karina Jimenes-Vargas, António Machado, José M. Álvarez-Suárez, Eduardo Tejera · 2025 · Molecules
- Leveraging molecular graphs for natural product classificationAlessia Lucia Prete, Barbara Toniella Corradini, Filippo Costanti, Franco Scarselli, Monica Bianchini · 2025 · Computational and Structural Biotechnology Journal
- Angelica sinensis and Scutellaria baicalensis synergistically alleviates metabolic dysfunction-associated steatohepatitis via promoting adipose tissue-to-liver tissue communicationMeina Zhao, Xingru Tao, Kai Gao, Dong Wu Xu, Wei Yan Zhang, Fei Mu, Rui Jun Lin, Mengdan Hui, Jingwen Wang · 2025 · Phytomedicine
- Photoprotective mycosporine-like amino acids in different organs of Baltic flatfish species revealed by targeted and untargeted metabolomics analysesFabian J. Hammerle, Romina Schöpf, Cornelia A. Karg, Uwe Krumme, Johanna Maria Gostner, Ulf Karsten, Markus Ganzera · 2025 · Frontiers in Marine Science
- Learning from All Views: A Multiview Contrastive Framework for Metabolite AnnotationYan Zhou Chen, Soha Hassoun · 2026 · Analytical Chemistry
- Tyrosine-sulfated peptide-induced flavonol biosynthesis controls elongation and differentiation in Arabidopsis primary rootMaría Florencia Ercoli, Alexandra M. Shigenaga, Artur Teixeira de Araújo, Katherine Louie, Benjamin P. Bowen, Tracy Satomi Weitz, Sangeetha Ramesh, Rashmi Jain, Trent R. Northen, Pamela C. Ronald · 2026 · The Plant Cell
- Count your bits: fingerprint benchmarking to assess broad chemical space representationFlorian Huber, Julian Pollmann · 2026 · Journal of Cheminformatics
- Computer Science Technology in Natural Products Research: A Review of Its Applications and ImplicationsK. Ogawa, Sakamoto Daiki, Rumiko Hosoki · 2023 · Chemical and Pharmaceutical Bulletin
- Unveiling the Bioprospecting Efficacy and Textile Dyeing of a Novel Endophytic Mycobial Red PigmentIsrael Mani, Myithili Thangavel, Akash Surendrababu, Michael Joe Xavier Sneha, Rajakrishnan Rajagopal, Ahmed Alfarhan, Nagendraprabhu Ponnuraj, Mohan Pandi · 2024 · Indian Journal of Microbiology
- Assessing the stability of polyphenol content in red rooibos herbal tea using traditional methods and high-resolution mass spectrometry: Implications for studying dietary interventions in preclinical rodent studiesReem Mahamoud, David T. Bowman, Wendy Elizabeth Ward, Vaughn Mangal · 2024 · Food Chemistry
- Urban and agricultural influences on the coastal dissolved organic matter pool in the Algoa Bay estuariesJarmo‐Charles Julian Kalinski, Xavier Siwe‐Noundou, Daniel Petras, Gwynneth Felicity Matcher, Alexandros Polyzois, Allegra T. Aron, Emily C. Gentry, Thomas G. Bornman, Janine Barbara Adams, Rosemary Ann Dorrington · 2024 · Chemosphere
- Molecular networking-based mass spectral identification of Brucea javanica (L.) Merr. metabolites and their selective binding affinities for dengue virus enzymesNor Syaidatul Akmal Mohd Yousof, Adlin Afzan, Murizal Zainol, Syahrul Imran Abu Bakar, Mohd Ridzuan Mohd Abd Razak, Nur Hana Md Jelas, Nor Nadirah Abdullah, Geoffrey A. Cordell, Nor Hadiani Ismail · 2024 · Fitoterapia
- Computational metabolomics reveals overlooked chemodiversity of alkaloid scaffolds in Piper fimbriulatumTito Damiani, Joshua David Smith, Téo Hebra, Milana Perković, Marijo Čičak, Alžběta Kadlecová, Vlastimil Rybka, Martin Dračínský, Tomáš Pluskal · 2025 · The Plant Journal
- Spec2Class: Accurate Prediction of Plant Secondary Metabolite Class using Deep LearningVictoria Poltorak, Nir Shachaf, Asaph Aharoni, David Zeevi · 2024 · bioRxiv (Cold Spring Harbor Laboratory)
- Efficient generation of open multi-stage fragmentation mass spectral librariesCorinna Brungs, Robin Schmid, Steffen Heuckeroth, Aninda Mazumdar, Matúš Drexler, Pavel Šácha, Pieter C. Dorrestein, Daniel Petras, Louis-Félix Nothias-Scaglia, Radim Nencka et al. · 2024 · ChemRxiv
- Trends in metabolite discovery from ActinomycetesPaolo Monciardini, Matteo Simone, Marianna Iorio, Sonia Ilaria Maffioli, Margherita Sosio, Stefano Donadio · 2025 · Natural Product Reports
- Unveiling the root–rhizosphere environment of perennial wheat: a metabolomic perspectiveGianluigi Giannelli, Sophia Luche, Laura Righetti, Gianni Galaverna, Paolo Bonini, Laura Gazza, Giovanna Visioli · 2025 · BMC Plant Biology
- Biosynfoni: a biosynthesis-informed and interpretable lightweight molecular fingerprintLucina-May Nollen, David Meijer, Maria Sorokina, Justin J. J. van der Hooft · 2025 · Journal of Cheminformatics
- Fuzheng YiLiu decoction promote colorectal cancer apoptosis and reduce its proliferation via IGF2/IGF1R/PI3K/AKT pathwayWei Yu, Zhangyu Jiang, Changlin Song, Yuanyuan Qiao, Xianzhe Wang, Wenhui Ma, Tao Wang, Yuting Xu, Fei Wang, Wenjun Xiong et al. · 2025 · Phytomedicine