NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products

Cited by (538)

Items 401–500 of 538

1. Establishment of a data visualization interface for the Digital Botanical Gardens Initiative
   Maëlle Wannier · 2023
2. Unraveling the secrets of plant roots: Simplified method for large scale root exudate sampling and analysis in Arabidopsis thaliana
   Harihar Jaishree Subrahmaniam, Camilla Lind Salomonsen, Simona Radutoiu, Bodil Ehlers, Marianne Glasius · 2023 · Open Research Europe
3. Comprehensive Mass Spectrometric Metabolomic Profiling of a Chemically Diverse Collection of Plants of the Celastraceae Family
   Luis-Manuel Quirós-Guerrero, Pierre‐Marie Allard, Louis-Félix Nothias-Scaglia, Bruno David, Antonio Grondin, Jean‐Luc Wolfender · 2024 · ChemRxiv
4. Additional file 2 of Prediction of plant secondary metabolic pathways using deep transfer learning
   Bao, Han, Jinhui Zhao, Xinjie Zhao, Chunxia Zhao, Xin Lu, Guowang Xu · 2023 · Figshare
5. Melia azedarach L. in vitro plantlets as a new source of antifeeding salannin- and nimbolinin-type limonoids
   Daniel Yuri Akiyama, M. SANTOS, Marina Ferreira Maximo, Maria Fátima das Graças Fernandes da Silva, Adriana A. Lopes, Taícia Pacheco Fill · 2024 · Plant Cell Tissue and Organ Culture (PCTOC)
6. eLife Assessment: Passive accumulation of alkaloids in non-toxic frogs challenges paradigms of the origins of acquired chemical defenses
   Youngsung Joo · 2024 · eLife
7. Reviewer #2 (Public Review): Passive accumulation of alkaloids in non-toxic frogs challenges paradigms of the origins of acquired chemical defenses
   2024 · eLife
8. Author response: Passive accumulation of alkaloids in inconspicuously colored frogs refines the evolutionary paradigm of acquired chemical defenses
   Rebecca D. Tarvin, Jeffrey L. Coleman, David A. Donoso, Mileidy Betancourth‐Cundar, Karem López-Hervas, Kimberly S Gleason, J Ryan Sanders, Jacqueline M Smith, Santiago R. Ron, Juan C. Santos et al. · 2024 · eLife
9. Reviewer #2 (Public review): Passive accumulation of alkaloids in inconspicuously colored frogs refines the evolutionary paradigm of acquired chemical defenses
   2024 · eLife
10. Development of an Efficient and Generalized MTSCAM Model to Predict Liquid Chromatography Retention Times of Organic Compounds
    Mengdie Fan, Chenhui Sang, Hua Li, Yue Wei, Bing Zhang, Yang Xing, Jing Zhang, Jie Yin, Wei An, Bing Shao · 2025 · Research
11. STDdb-A curated database for sexually transmitted diseases
    Krishnendu Barik, Mayank Kumar, Praffulla Kumar Arya, Anil Kumar · 2025 · Next research.
12. Exploring the Exclusive Isolation of Pseudomonas syringae in Peltigera Lichens via Metabolite Analysis and Growth Assays
    Natalia Ramírez, Diana Marcela Vinchira-Villarraga, Mojgan Rabiey, Margrét Auður Sigurbjörnsdóttir, Starri Heiðmarsson, Oddur Þór Vilhelmsson, Robert Wilson Jackson · 2025 · Environmental Microbiology
13. Combating Over-Smoothing in Graph Models with Half- Hop for Molecular Property Prediction
    Sakshi Ranjan, Sanjay Kumar Singh · 2024 · IEEE India Conference
14. A Carbonyl-Trapping Mechanism-Based Automatic Mining (CTM-AM) Strategy for Accelerating the Discovery of Natural Products with Anti-Advanced Glycation End Products Activity
    Wenjun Qi, Mi Zhang, Takashi Kikuchi, Kouharu Otsuki, Wei Li · 2025 · Analytical Chemistry
15. Can Provence Flora Offer Effective Alternatives to Widely Used Medicinal Plants? A Comparative Study of Antioxidant Activity and Chemical Composition Using Molecular Networking
    Clémentine Baccati, Elnur Garayev, Charifat Saïd Hassane, Célia Breaud, E. A. Garaev, Myriam Bertolotti, Fathi Mabrouki, Sok-Siya Bun-Llopet, Béatrice Baghdikian · 2025 · Molecules
16. Exploring Microbial Utilization of Iron via Mass Spectrometry
    Anastasiia Kostenko · 2025
17. Integrative network pharmacology and multi-omics to investigate the potential mechanisms involved in Wumei Wan treatment of colorectal adenomas
    Qingwan Yang, Song Zhou, Chunlan Chen, Yuemeng Luo, Junsong Cui, Haibo Zhang, Zhenghua Xiao · 2025 · Research Square
18. Feature-based molecular networking of two Arenga species extracts, appraisal of their anti-inflammatory, analgesic, and antidiarrheal activity
    Wafaa A. Ahmed, Amel M. Kamal, Mohamed I. S. Abdelhady, Shimaa K. Mohamed, Mohamed Sayed Abdel-aziz, Kuei-Hung Lai, Yu‐Chia Chang, Bo‐Rong Peng, Thanh Hao Huynh, Yu‐Cheng Chen et al. · 2025 · Fitoterapia
19. Analysis of Non-volatile Component Differences and Metabolic Pathways in Various Forms of Dracaena cochinchinensis Resin-Containing drugs Using Untargeted Metabolomics and Molecular Networking
    Meijia Chen, Yunfei Cui, Jinhua Su, Jiahui Ren, Yu Zhu, Jinhui Wang, Guang Li · 2025 · Research Square
20. Assessing the effect of temperature on Rhodococcus metabolite production
    Marla Itzel Macias Contreras, Natalie Millán‐Aguiñaga, Jonathan Parra, Katherine Duncan · 2025 · Microbiology
21. Australian Rainforests—A Living Museum of Natural Product Chemical Diversity
    Anthony Richard Carroll · 2025 · Fortschritte der Chemie Organischer Naturstoffe/Fortschritte der Chemie organischer Naturstoffe/Progress in the chemistry of organic natural products
22. Discovering molecules and plants with potential activity against gastric cancer: an in silico ensemble-based modeling analysis
    Micaela Villacrés, Alec Avila, Karina Jimenes-Vargas, António Machado, José M. Álvarez-Suárez, Eduardo Tejera · 2025 · Frontiers in Bioinformatics
23. Screening of Endosymbionts for Plant Growth–Promoting Metabolites
    Pfariso Maumela, Mahloro Hope Serepa‐Dlamini · 2025 · Springer protocols handbooks/Springer protocols
24. LibNPDB: The First Freely Accessible Database of Libyan Natural Products
    Abdelkarim Sasi, Ali Rafieda · 2025 · AlQalam Journal of Medical and Applied Sciences
25. Metabolic characteristics of the annual ephemeral plant Tetracme quadricornis in heterogeneous habitats
    Zhengwei Heng, Lingwei Zhang, Huiliang Liu, Zhengwang Gao, Yu Wang · 2025 · Research Square
26. Effects of tree diversity on oak litter VOC emissions
    Gabriela A. S. Escaliante, Hannah Koller, Omer Nevo, Alexander Weinhold, Nicole M. van Dam · 2025 · Chemoecology
27. Mapping the Helichrysum metabolome: uncovering species-specific chemistry through an AI-guided LC-MS/MS workflow
    Motseoa Mariam Lephatsi, Mpho Susan Choene, Abidemi Paul Kappo, Ntakadzeni Edwin Madala, Fidele Tugizimana · 2025 · Molecular Omics
28. Out of sync: Quinolizidine alkaloid evolution does not track phylogenetic relationships in Genisteae (Fabaceae)
    Sarah G. Hunter, Fiona T. MacNeill, Domingos Cardoso, Robert K. Jansen, Brian E. Sedio · 2026 · Phytochemistry
29. Distinct metabolic signatures associated with drought response, shoot architecture, and flowering time in camelina
    Alice Vayssières, Stéphanie Boutet‐Mercey, Jean‐Chrisologue Totozafy, Frédérique Tellier, Michèle Winkler, Léa Barreda, Miriana Vicino, Anaïs da Costa, Massimiliano Corso, Jean‐Denis Faure · 2025 · Plant and Cell Physiology
30. MetabFlow: a comprehensive metabolic map for exogenous natural products
    Sisi Zhu, Lin Chen, Xiuwen Li, Hongquan Xu, Weimin Lu, Changli Zhou, Yiru Hu, Lin Tao · 2025 · Nucleic Acids Research
31. Untargeted metabolomics approaches challenge the nutri-score FOPNL system in soluble cocoa products
    Marta Palma‐Morales, Óscar Daniel Rangel-Huerta, Rafael Urrialde, Celia Rodríguez‐Pérez · 2025 · npj Science of Food
32. Additional file 1 of MCF2Chem: A manually curated knowledge base of biosynthetic compound production
    Pengli Cai, Liu, Sheng, Dachuan Zhang, Hu, Qian-Nan · 2023 · Figshare
33. Additional file 3 of MCF2Chem: A manually curated knowledge base of biosynthetic compound production
    Pengli Cai, Liu, Sheng, Dachuan Zhang, Hu, Qian-Nan · 2024 · Figshare
34. Additional file 1 of Exploring the known chemical space of the plant kingdom: insights into taxonomic patterns, knowledge gaps, and bioactive regions
    Domingo-Fernández, Daniel, Yojana Gadiya, Sarah Mubeen, David Healey, Bryan H. Norman, Viswa Colluru · 2024 · Figshare
35. Additional file 2 of MCF2Chem: A manually curated knowledge base of biosynthetic compound production
    Pengli Cai, Liu, Sheng, Dachuan Zhang, Hu, Qian-Nan · 2024 · Figshare
36. Additional file 1 of Prediction of plant secondary metabolic pathways using deep transfer learning
    Bao, Han, Zhao, Jinhui, Zhao, Xinjie, Zhao, Chunxia, Lu, Xin, Xu, Guowang · 2023 · Figshare
37. SMART deep learning tools to accelerate the characterization of natural product structures from their NMR data
    Byeol Ryu, Myeong Ji Kim, Wangdong Xu, Chen Zhang, Mingxun Wang, Hyunwoo Kim, Garrison W. Cottrell, William H. Gerwick · 2025 · Methods in enzymology on CD-ROM/Methods in enzymology
38. Development of a comprehensive approach for the characterization of polar plant decoctions by orthogonal LC-MS reversed phase, HILIC, and NMR metabolite profiling: the case of Combretum micranthum
    Lisa Vuadens, Robin Huber, Laurence Marcourt, Luis-Manuel Quirós-Guerrero, Olivier Auguste Kirchhoffer, Arnaud Gaudry, Renata Campos Nogueira, Elhadji Assane Diop, Sidi Mohamed Seck, Jean‐Luc Wolfender et al. · 2026 · Frontiers in Natural Products
39. Biotransformation of monoterpenols upon pre‐treatment with oregano essential oil vapour alleviates downy mildew susceptibility in grapevine leaves
    J. R. P. E. Mars, R. M. de Graaf, R. S. Jansen, Silvia Coolen, Paul H. J. Kouwer, J. L. Peters, Redouan Adam Anaia · 2026 · Plant Biology
40. Metabolomic discrimination of the Primula auricula genetic complex
    Stéphanie Morelon, Gaétan Glauser, Emmanuel Défossez, Jérémy Gauthier, Jason R. Grant, Nadir Álvarez, Sergio Rasmann · 2026 · Biochemical Systematics and Ecology
41. Metabologenomic assessment of biosynthetic capabilities in the genus Salinibacterium: untapped bioactive chemistry produced by marine strain AL4.1 isolated in the Chilean Patagonia
    Eduardo Sánchez-Carvajal, Néstor Serna-Cardona, Fernanda P. Claverías, Neri Vargas, Thomas Dacal-Barahona, Valentina González, Melissa González-Sanabria, Jonathan Parra, Beatriz Cámara · 2026 · Research Square
42. Cissus verticillata Leaf Extract Decreases the Production of AGEs and ROS In Vitro
    Felipe Nunes Cardoso, Emanuel Victor dos Santos Nunes, Ingrid Delbone Figueiredo, Winner Duque Rodrigues, Renata Pires Assis, André Gonzaga dos Santos, Luís Vitor Silva do Sacramento, Iguatemy Lourenço Brunetti, Alan César Pilon, Amanda Martins Baviera · 2026 · Molecules
43. In vitro and in silico analysis of the fungicidal potential of secondary metabolites from a bacterial endophyte against Botrytis cinerea
    Pfariso Maumela, Mahloro Hope Serepa‐Dlamini · 2026 · BMC Biotechnology
44. Metabolomic and volatile profiling reveals defence-related effects of IbPep1 in sweet potato cell culture
    Liza Zhyr, Christianne Mae Dela Cruz, Axel Mithöfer · 2026 · BMC Plant Biology
45. Introducing furanocoumarin biosynthetic genes in tomato results in coumarins accumulation and impacts growth
    Alexandre Bouillé, Cloé Villard, Gianni Galati, Marwa Roumani, Aude Fauvet, Jérémy Grosjean, Lennart Hoengenaert, Wout Boerjan, John Ralph, Frédérique Hilliou et al. · 2026 · Plant Science
46. Phytochemical diversity of naturally regenerated plants in a biodiversity enrichment experiment
    Vannesa Montoya‐Sánchez, Emmanuel Défossez, Gustavo Brant Paterno, Nathaly R. Guerrero‐Ramírez, Gaetan Glausere, Dirk Hölscher, Holger Kreft, Bambang Irawan, Delphine Clara Zemp · 2026 · Journal of Ecology
47. Evaluation of UV-sunscreen mycosporine-like amino acids (MAAs) in two economically important red macroalgae from Peru
    Fernanda Miyagi Pita, Juan Carlos Francia Quiroz, Fabian J. Hammerle, Markus Ganzera, Barış Ballık, Oscar Reátegui, Ulf Karsten · 2026 · Journal of Applied Phycology
48. Metabolomics-centered exploration of plant specialized metabolism innovations : a case-study on the chemodiversity, biosynthesis and anti-herbivory functions of N-acylnornicotines in the genus Nicotiana
    David Elser · 2023
49. Analyse de mélanges complexes par RMN en conditions de diffusion de spin
    Ritchy Leroy · 2023
50. Capture et caractérisation chimique des exométabolites de deux éponges de Méditerranée : Aplysina cavernicola (Vacelet, 1959) et Agelas oroides (Schmidt, 1864)
    Morgane Mauduit · 2023
51. Toxoplasma gondii : identification par docking inverse sur des cibles moléculaires de composés actifs issus de ressources naturelles
    Julien Cordonnier · 2024 · theses.fr (ABES)
52. Physiological and molecular characterization of the mitigation of nitrogen deficiency stress by the arbuscular mycorrhizal fungus Rhizophagus irregularis associated with Maize (Zea mays L.)
    Bérengère Decouard · 2023
53. Chemical and microbial mediators as key structuring elements for coralrecruitment
    Camille Vizon · 2024
54. MDA-MB-231 Breast Cancer Cells Response to Dimocarpus longan Fruit Extract: An In Vitro and In Silico Investigation
    Santhoshi Kavya Shankar, Gayathri Rengasamy, Kavitha Sankaran, Vishnu Priya Veeraraghavan, Arul Prakash Francis · 2026 · Indian Journal of Gynecologic Oncology
55. Impact des bactériocines sur la composition, la dynamique et l'activité métabolique du microbiote caecal aviaire : étude in vitro par métabarcoding 16S et métabolomique
    Amal Mamjoud · 2025 · theses.fr (ABES)
56. Brazilian Biodiversity Natural Products Database: BrNPDB
    Fillipe Alfredo Neves, Alice R. V. Carvalho, Lívia M. Campos, Thainan L. N. de Oliveira, Marília Valli, Alan César Pilon, Thomas Riechert, Vanderlan S. Bolzani, Edgard Marx, István J. Mócsy et al. · 2025 · Simpósio Brasileiro de Bioinformática (BSB)
57. Puerarin alleviates crystalline silica-induced pulmonary fibrosis by suppressing mtDNA leakage-induced senescence and EMT in alveolar type II cells
    Shuwen Gong, Wei Su, Xiaoxi Wei, Xinyu Ma, Anqi Cao, Yi Luo, Bing Hu, Yi Guan, Yulan Jin, Hong Xu et al. · 2026 · Ecotoxicology and Environmental Safety
58. Comparative study on the differential chemical composition of Radix Paeoniae Rubra and Radix Paeoniae Alba and their ameliorative effects in a rat model of cold coagulation, Qi stagnation, and blood stasis
    Siwen Pan, Chunlei Yu, Haixue Kuang · 2026 · Current Pharmaceutical Analysis
59. Comparative Chemical Profiling, Antioxidant Activity, and Antidiabetic Potential of Four Whole-Grain Red Rice Cultivars from Three Southern Border Provinces of Thailand: An In Vitro and In Silico Investigation
    Pornpen Panomwan, Pawika Mahasawat, Ittipat Meewan, Suebpong Pruttipattanapong, Nateelak Kooltheat, Thanawat Pitakpornpreecha, Sunita Makchuchit, Arunporn Itharat · 2026 · Foods
60. Biofilms at the bottom of the ocean: Microbial diversity and resource potential
    Weipeng Zhang, Wei Ding, Qi Liu, Yaxuan Li · 2026 · Elsevier eBooks
61. Inhibition of jasmonic acid‐isoleucine conjugating enzyme JAR1 shifts the local and systemic leaf signals and metabolic profiles in Arabidopsis
    Ming Zeng, Axel Mithöfer · 2026 · New Phytologist
62. Learning the chemical language of natural products
    Xu Guo, Celia M. Rava, Allison S. Walker · 2026 · Nature Machine Intelligence
63. Wild origins, cultivated undertones: floral scent variation in Vanilla planifolia Andrews
    Monika M. Lipińska, Charlotte Watteyn, Adam P. Karremans, Paulo Milet‐Pinheiro · 2026 · BMC Plant Biology
64. Identification of antigonorrhoeal phytochemical lead compounds using a metabolomics-guided approach
    Perfoy Lumu, Phanankosi Moyo, Alphonse Onana, Patrick Mc Millan, Madelien Wooding, Samkelo Malgas, Vinesh Jaichand Maharaj, Sekelwa Cosa · 2026 · Folia Microbiologica
65. Systematic Assessment of the Impact of Targeted Selection Methods and Environment-Mimicking Culture Conditions on Fungal Natural Product Libraries
    Monica Ness, Karen Wendt, Thilini Peramuna, Demetrius I Tillery, Jillian E Murray, Robert H. Cichewicz, Laura‐Isobel McCall · 2026 · Journal of Natural Products
66. Plant Growth-Promotion and Antifungal Features of Streptomyces sp. AM25 Unveiled by a Metabologenomics Approach
    Naydja Moralles Maimone, Gladys Angélica Apaza-Castillo, Trevor N. Clark, Lucas C. Perez, Guilherme Kenichi Hosaka, Endrews Delbaje, Maria Carolina Quecine, Roger G. Linington, Simone Possedente de Lira · 2026 · ACS Agricultural Science & Technology
67. Benthic contributions to the chemical seascape: Insights from Mediterranean underwater caves
    Marie Derrien, Pierre Chevaldonné, Charlotte Simmler, Thierry Pérez · 2026 · Limnology and Oceanography
68. Metabolic Fingerprints of High‐Risk Individuals for Pancreatic Cancer: A Multibiospecimen Investigation
    Vladyslav Dovhalyuk, Quang-Dong Bui, Vincent Ripoll, Wiktor Rutkowski, Miroslav Vujasinović, Matthias J. Löhr, Daniel Globisch · 2026 · Analysis & Sensing
69. Chemical space of African natural products: a comparative atlas with approved drugs and Traditional Chinese Medicine
    JEAN YVES TAKOUA BELLA, Auguste Abouem À Zintchem · 2026 · Research Square
70. Uncovering how selected potent bacteriocins reshape the broiler chicken gut microbiome in a PolyFermS continuous in vitro model
    Amal Mamjoud, Séverine Zirah, Sylvie Rebuffat, Éric Biron, Ismaı̈l Fliss · 2026 · Journal of Animal Science and Biotechnology/Journal of animal science and biotechnology
71. Systematic functional annotation of thousands of BAHD acyltransferases in plant genomes using Protein Language Model and phylogenomic tools
    Nathaniel S. S. Smith, Xinyu Yuan, Chesney Melissinos, SAHAJ SATANI, Crystal Grissom, Gaurav D. Moghe · 2026 · bioRxiv (Cold Spring Harbor Laboratory)
72. Artificial Intelligence‐Driven Network Pharmacology: A Methodological Paradigm Shift Bridging Traditional Wisdom and Modern Science
    Cong Wang, Sile Hu, Rigahai Ji, Riguna A, Siqige Hao, Ma Zhuo, Yi‐Hung Chen, 呼毕斯哈拉图, Ulana Bai, Xigui Hada · 2026 · Advanced Intelligent Discovery
73. THEOBROMA: an aggregated open database of 1.13 million natural products with per-compound license auditing, three-tier classification, and stereochemistry-aware deduplication
    Thor Klamt, Anne Jaczkowski, Jakob Franke, Wolfgang Nejdl · 2026 · Nucleic Acids Research
74. Sensomic profiling of coffee leaf infusions: chemical–sensory markers for quality assessment
    Davide Rovelli, Francesca Trapani, Bianca Serito, Christophe Montagnon, Chiara Dall’Asta · 2026 · SSRN Electronic Journal
75. German soils affect biomass production, elemental profiles, and anti-inflammatory activity of three medicinal plants used in Brazilian traditional medicine: Scoparia dulcis L., Physalis angulata L., and Porophyllum ruderale (Jacq.) Cass.
    Enrique Bernard Hernández, Philipp Gabor, Franziska Schanbacher, Vanessa Gisele Pasqualotto Severino, Wilson Mozena Leandro, Sabry Mohamed Shaheen, Matthias Melzig, Alexander Weng, Jörg Rinklebe · 2026 · Scientific Reports
76. A Compound-Centric Framework for Mapping Plant Chemical Space through Structural Scaffolds and Bioactivity Evidence
    Carlos Alexandre Carollo, Andrey Gaspar Sorrilha-Rodrigues, Mariana Calarge Nocetti, Flávio Macêdo Alves, Aline Regina Hellmann Carollo · 2026 · ACS Omega
77. Chemotaxonomic Map of Labdane Diterpenoids in Acanthaceae.
    D. Domingo-Fernándéz, P. Slack, Ifra Saifi, A. Bayless, William Wen, A. Preto, Erik DeBloois, Jennifer Shipp, Tendai Chisowa, August Allen et al. · 2026 · Journal of Natural Products
78. Metabolite profiling and in vitro assessment of skin-related pharmacological activities in Baccharis trimera (Less.) DC
    Philipp Gabor, Wéldion G. Mesquita Júnior, Kyuri Ribeiro, Romário Pereira.da Costa, Quézia B. Cass, Vanessa Gisele Pasqualotto Severino, Richele Priscila Severino, Geísa Ferreira Costa Makishi, Gislane Florambel Siqueira, Matthias F. Melzig et al. · 2026 · Journal of Ethnopharmacology
79. Among-population variation in the threespine stickleback ( Gasterosteus aculeatus ) liver metabolome: effects of ancestry and environment
    Francis Dinh, Mel Grillo, Marwa Mamdouh Tawfik, Andrew P. Hendry, Åsa Lind, Kathryn Milligan‐McClellan, Catherine L. Peichel, Natalie C. Steinel, Yun-Jie Tseng, Jesse N. Weber et al. · 2026 · bioRxiv (Cold Spring Harbor Laboratory)
80. DeepMASS v.2: An enhanced deep learning platform for large-scale discovery and structural annotation of unknown plant metabolites
    Siyu Jiang, Qiong Yang, Ziyao Xiong, Kairong Li, Qinliang Dai, Meifeng Su, Yaqing Lyu, Yanchun Peng, Ran Du, Jianbin Yan et al. · 2026 · Plant Communications
81. Structure-Based Comparative Metabolomics Identifies LysoPE 15:0 as a Candidate Metabolite Marker of Influenza Virus Infection Dynamics
    Junxiao Wang, Yuting Li, Bin Wang, Wenxia Fang, Yushen Du, Fei Xu · 2026 · Molecules
82. Characterizing the effect of short wavelengths on the floral flavonoid metabolome of medicinal cannabis using a comparative computational metabolomics workflow
    Willy Contreras-Avilés, Laura Rosina Torres Ortega, E. Heuvelink, Leo F. M. Marcelis, Justin J. J. van der Hooft, Iris F. Kappers · 2026 · Metabolomics
83. Discovery of pseudobaptigenin synthase in fungal‐infected Trifolium pratense roots
    Lee Marie Raytek, Lan Liu, Stéphane Bayen, Mehran Dastmalchi · 2026 · The Plant Journal
84. Modeling Investigation Bias in LOTUS–ChEMBL Cheminformatics of Antiplasmodial Natural Products
    JEAN YVES TAKOUA BELLA, André Néhémie Bitombo, Eric Robert Tiam, Mc Jésus Kinyok, Ibrahim Mbouombouo Ndassa, Auguste Abouem À Zintchem · 2026 · Research Square
85. Cyclic Dipeptide Cyclo(l-Phe-l-Pro) Derived from Beauveria bassiana Exhibits Stronger Antifungal Activity than Beauvericin Against Fusarium oxysporum
    Marta Ranesi, Martina Sinno, Alessia Staropoli, Maria Michela Salvatore, Stefania Vitale, Anna Andolfi, Sheridan Lois Woo, David Turrà, Francesco Vinale · 2026 · Agriculture
86. Deep Learning for Natural Product Bioactivity Prediction: A Critical Review of Molecular Representation, Model Reliability, and Therapeutic Relevance
    Chinedu Okafor, Amina Bello, Ibrahim Musa · 2025 · International Journal of Pharmaceutical and Phytopharmacological Research
87. Integrating Suspect and Nontargeted Screening for Food Safety Testing: A Case Study of Bee Pollen Supplements
    Heeren Susannah, Nynke I. Kramer, Laura Righetti · 2026 · Analytical Chemistry
88. Natural Products in AI-Driven Drug Discovery: A Bibliometric and Thematic Review of Computational Methods, Disease Areas, and Emerging Frontiers
    João Silva, Pedro Costa, Ana Beatriz, Rafael Mendes · 2025 · International Journal of Pharmaceutical and Phytopharmacological Research
89. Can Large Language Models Translate MS/MS into Molecular Caption?
    Menglin Zhou, Chenhao Gong, Shan Cong, Qiong Yang, Siyu Jiang, Jing Tian, Changgen Xie, Sihao Chang, Hongchao Ji · 2026 · Analytical Chemistry
90. Ontologies for Natural Product Therapeutics: Standardizing Phytochemicals, Biological Activities, Targets, Pathways, Formulations, and Evidence Levels
    Lars Petersen, Maja Jensen, Henrik Nielsen, Ursula Hoffmann · 2025 · International Journal of Pharmaceutical and Phytopharmacological Research
91. Benchmarking AI for Natural Product Drug Discovery: Data Integrity, Model Robustness, Mechanistic Validity, and Translational Utility
    Ethan Wright, Chloe Bennett, Jack Turner · 2026 · International Journal of Pharmaceutical and Phytopharmacological Research
92. e-Resources Relevant to Machine Learning Tools for Medicinal Chemistry
    Sushmita Barua, Balaji B, S. Balaji · 2026 · Royal Society of Chemistry eBooks
93. Differentiation of White and Red Galangal Rhizomes by Pseudo‐Targeted LC‐MS/MS Metabolomics
    Elan Hernadi, Eti Rohaeti, Widodo, Mohamad Rafi · 2026 · Chemistry & Biodiversity
94. What Defines a Plant Chemotype? Conceptual Boundaries, Chemical Criteria, and Methodological Challenges
    Mauricio Mateus Guimaraes-Silva, Matheus Chaves de Jesus, Dannily Augusto Rebouças, Lorraynne Oliveira de Souza, Claudete da Costa-Oliveira, Elaine De Lima de Jesus, Orlando Maia Barboza, Tâmara do Nascimento da Silva, Philippe Barreto de Almeida, Renato Crespo Pereira et al. · 2026 · International Journal of Plant Biology
95. Bittersweet dynamics from flowers to fruits: chemometric molecular networking reveals metabolic changes towards reduced toxicity over ontogeny in above-ground Solanum dulcamara chemotypes
    Redouan Adam Anaia, Ilaria Chiocchio, Nicole M. van Dam · 2026 · Annals of Botany
96. Comparing General and Domain-Specific Pre-trained Language Models for Natural Product Classification
    Barbara Toniella Corradini, Monica Bianchini, Matteo Intravaia, Lorenzo Nigi, Vittorio Sali, Alessia Lucia Prete · 2026 · Communications in computer and information science
97. Integrating metagenome-scale metabolic models and metabolomics to explore candidate biochemical interactions in cultivated Microcystis phycospheres
    Juliette Audemard, Nicolas Creusot, Julie Leloup, Charlotte Duval, Sébastien Halary, Lou Mary, Mélissa Éon, Thomas Forjonel, Mohamed Mouffok, Rémy Puppo et al. · 2026 · ISME Communications
98. Environmental Contaminants in Surface Snow Samples Made from Reclaimed Water at a Ski Resort: A Mass Spectrometry Analysis
    Marquis T Yazzie, Haoqi Nina Zhao, Anita J. Antoninka, Leif M. Abrell, Daniel Petras, Ethan N. Tsosie, Ivory J. Bacy, Kalealani M. Gurfield, Catherine R. Propper, Allegra T. Aron et al. · 2026 · ACS Environmental Au
99. Integrated taxonomic, phylogenetic, and metabolomic characterization of Uncaria lanosa (Rubiaceae) from Mindanao, Philippines
    Mark Lloyd Granaderos Dapar, Jason C. Alcano, Joryll D. Pulmones, NOEL E. LAGUNDAY, Victor B. Amoroso, Lovelle Mae Galia, Genevieve Dable-Tupas, Veneracion G. Cabana · 2026 · Discover Plants.
100. The convergence of traditional Chinese medicine and artificial intelligence: A bibliometric study on the development of neural networks in traditional Chinese medicine
     Jia-Mu Ma, Shi-Jing Wen, L. Sun, Le-Tian Ying, Yong-Qi Yang, Yu-Qing Yang, Yu Cao, Jian Yao, Juan Qin, Jia-Qian Xing et al. · 2026 · Information Processing & Management