ReviewNature reviews. Drug discovery2023
Artificial intelligence for natural product drug discovery.
Abstract readReview
In one paragraph
Review in Nature reviews. Drug discovery, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 201 papers, 5 of them syntheses that pooled it.
0numbers the graph read from it
0cells of the map it votes in
201citing papers in PubMed, 5 pooled it
–field-weighted citation impact
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
201 citing papers in PubMed, 5 syntheses or guidelines pooled it.
- A Systematic Review of Alternative Artemisinin Production Strategies.International journal of molecular sciences · 2025Pooled it
- Meta-analysis and review of in silico methods in drug discovery - part 1: technological evolution and trends from big data to chemical space.The pharmacogenomics journal · 2025Pooled it
- Mapping knowledge landscapes and emerging trends in artificial intelligence for antimicrobial resistance: bibliometric and visualization analysis.Frontiers in medicine · 2025Pooled it
- Quercetin exhibits multi-target anti-allergic effects in animal models: a systematic review and meta-analysis of preclinical studies.Frontiers in pharmacology · 2025Pooled it
- Antimicrobial resistance crisis: could artificial intelligence be the solution?Military Medical Research · 2024Pooled it
- Design, synthesis, and biological evaluation of 6-aryl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine derivatives as novel tubulin inhibitors with potent anticancer efficacy.Journal of enzyme inhibition and medicinal chemistry · 2026Article
- Fast, flexible gene cluster family delineation with IGUA.Nucleic acids research · 2026Article
- Antibiotic-producing microorganisms: taxonomic diversity, screening strategies, and emerging and underexploited antibacterial targets.Archives of microbiology · 2026Review
- MacroTox: A Macroscopic Graph Topology-Based Multimodal Learning Framework for Robust Molecular Toxicity Prediction.JACS Au · 2026Article
- Article
- Beyond Conventional: A Review of Phytochemical-Hydrogel Systems Enhanced by AI and 3D Printing for Chronic Wound Management.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Review
- Process Analytical Technology Integration in 3D Printing Processes: Benefits and Challenges.AAPS PharmSciTech · 2026Review
- Bufalin-Loaded Multifunctional Nanodrugs for Cancer Therapy: Mechanisms, Delivery Strategies, and Translational Perspectives.Biomolecules · 2026Review
- Berberine as a Promising Antifungal Agent: Insights into Molecular Mechanisms and Therapeutic Potential.ACS omega · 2026Review
- Natural Small Molecules Targeting Mitochondrial Quality Control for the Treatment of Metabolic Diseases: Mechanisms, Novel Formulations, and Translational Perspectives.Pharmaceuticals (Basel, Switzerland) · 2026Review
- A multi-evidence computational and experimental strategy forRSC medicinal chemistry · 2026Article
- Few-shot learning-driven discovery of Lutein suppresses Th1-mediated inflammation via glucose metabolism.Acta pharmacologica Sinica · 2026Article
- Integrative Multi-omics and Machine Learning Reveal the Therapeutic Mechanisms of Juanyu-Xiaozhi Formula in Metabolic Dysfunction-associated Steatotic Liver Disease and Hepatic Fibrosis via the AP-1/PPARγ/SCD1 Axis.Journal of clinical and translational hepatology · 2026Article
- Data-centric feedback loops for next-generation immunotherapy development.Nature biomedical engineering · 2026Review
- Marine-Derived Natural Products Against Flaviviruses: Mechanisms, Evidence, and Future Directions.Marine drugs · 2026Review
141 more citing papers are in PubMed but not listed here.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
58 authors.
Michael W Mullowney *Duchossois Family Institute, The University of Chicago, Chicago, IL, USA.ORCID 0000-0002-2884-4307
Katherine R Duncan *Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, Glasgow, UK.ORCID 0000-0002-3670-4849
Somayah S Elsayed *Department of Molecular Biotechnology, Institute of Biology, Leiden University, Leiden, The Netherlands.ORCID 0000-0003-3837-6137
Neha Garg *School of Chemistry and Biochemistry, Center for Microbial Dynamics and Infection, Georgia Institute of Technology, Atlanta, GA, USA.ORCID 0000-0002-2760-7123
Justin J J van der Hooft *Bioinformatics Group, Wageningen University, Wageningen, The Netherlands.ORCID 0000-0002-9340-5511
Nathaniel I Martin *Biological Chemistry Group, Institute of Biology, Leiden University, Leiden, The Netherlands.ORCID 0000-0001-8246-3006
David Meijer *Bioinformatics Group, Wageningen University, Wageningen, The Netherlands.ORCID 0000-0001-6406-4394
Barbara R Terlouw *Bioinformatics Group, Wageningen University, Wageningen, The Netherlands.ORCID 0000-0002-4058-6718
Friederike BiermannBioinformatics Group, Wageningen University, Wageningen, The Netherlands.ORCID 0000-0002-9152-2562
Kai BlinThe Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark, Kongens Lyngby, Denmark.ORCID 0000-0003-3764-6051
Janani DurairajBiozentrum, University of Basel, Basel, Switzerland.ORCID 0000-0002-1698-4556
Marina Gorostiola GonzálezDrug Discovery and Safety, Leiden Academic Centre for Drug Research, Leiden, The Netherlands.ORCID 0000-0003-1568-0881
Eric J N HelfrichInstitute of Molecular Bio Science, Goethe-University Frankfurt, Frankfurt am Main, Germany.ORCID 0000-0001-8751-3279
Florian HuberCenter for Digitalization and Digitality, Hochschule Düsseldorf, Düsseldorf, Germany.ORCID 0000-0002-3535-9406
Stefan Leopold-MesserInstitut für Mikrobiologie, Eidgenössische Technische Hochschule (ETH) Zürich, Zürich, Switzerland.ORCID 0000-0003-3490-3550
Kohulan RajanInstitute for Inorganic and Analytical Chemistry, Friedrich-Schiller-University Jena, Jena, Germany.ORCID 0000-0003-1066-7792
Tristan de RondSchool of Chemical Sciences, University of Auckland, Auckland, New Zealand.ORCID 0000-0002-5203-4662
Jeffrey A van SantenDepartment of Chemistry, Simon Fraser University, Burnaby, British Columbia, Canada.
Maria SorokinaInstitute for Inorganic and Analytical Chemistry, Friedrich-Schiller University, Jena, Germany.ORCID 0000-0001-9359-7149
Marcy J BalunasDepartment of Microbiology and Immunology, University of Michigan, Ann Arbor, MI, USA.ORCID 0000-0003-2374-4048
Mehdi A BeniddirÉquipe "Chimie des Substances Naturelles", Université Paris-Saclay, CNRS, BioCIS, Orsay, France.ORCID 0000-0003-2153-4290
Doris A van BergeijkDepartment of Molecular Biotechnology, Institute of Biology, Leiden University, Leiden, The Netherlands.ORCID 0000-0002-2316-920X
Laura M CarrollStructural and Computational Biology Unit, EMBL, Heidelberg, Germany.ORCID 0000-0002-3677-0192
Chase M ClarkDivision of Pharmaceutical Sciences, School of Pharmacy, University of Wisconsin-Madison, Madison, WI, USA.ORCID 0000-0001-6439-9397
Djork-Arné ClevertWRDM - Machine Learning Research, Pfizer, Berlin, Germany.ORCID 0000-0003-4191-2156
Chris A DejongAdapsyn Bioscience, Hamilton, Ontario, Canada.
Chao DuDepartment of Molecular Biotechnology, Institute of Biology, Leiden University, Leiden, The Netherlands.
Scarlet FerrinhoChemistry Department, University of St Andrews, St Andrews, UK.ORCID 0000-0002-9621-848X
Francesca GrisoniInstitute for Complex Molecular Systems, Department of Biomedical Engineering, Eindhoven University of Technology, Eindhoven, The Netherlands.ORCID 0000-0001-8552-6615
Albert HofstetterLaboratory of Physical Chemistry, ETH Zürich, Zürich, Switzerland.
Willem JespersDrug Discovery and Safety, Leiden Academic Centre for Drug Research, Leiden, The Netherlands.
Olga V KalininaHelmholtz Institute for Pharmaceutical Research Saarland (HIPS), Helmholtz Centre for Infection Research (HZI), Saarbrücken, Germany.ORCID 0000-0002-9445-477X
Satria A KautsarDepartment of Chemistry, Scripps Research, FL, USA.
Hyunwoo KimCollege of Pharmacy and Integrated Research Institute for Drug Development, Dongguk University Seoul, Goyang-si, Republic of Korea.ORCID 0000-0003-2473-8360
Tiago F LeaoCenter for Nuclear Energy in Agriculture, University of São Paulo, Piracicaba, Brazil.
Joleen MasscheleinCenter for Microbiology, VIB-KU Leuven, Heverlee, Belgium.ORCID 0000-0003-4366-3675
Evan R ReesDivision of Pharmaceutical Sciences, School of Pharmacy, University of Wisconsin-Madison, Madison, WI, USA.
Raphael ReherInstitute of Pharmaceutical Biology and Biotechnology, University of Marburg, Marburg, Germany.ORCID 0000-0002-5858-1173
Daniel RekerDepartment of Biomedical Engineering, Duke University, Durham, NC, USA.ORCID 0000-0003-4789-7380
Philippe SchwallerLaboratory of Artificial Chemical Intelligence, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland.
Marwin SeglerMicrosoft Research, Cambridge, UK.
Michael A SkinniderAdapsyn Bioscience, Hamilton, Ontario, Canada.ORCID 0000-0002-2168-1621
Allison S WalkerDepartment of Chemistry, Vanderbilt University, Nashville, TN, USA.
Egon L WillighagenDepartment of Bioinformatics - BiGCaT, NUTRIM, Maastricht University, Maastricht, The Netherlands.ORCID 0000-0001-7542-0286
Barbara ZdrazilEuropean Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Cambridgeshire, UK.ORCID 0000-0001-9395-1515
Nadine ZiemertInterfaculty Institute for Microbiology and Infection Medicine Tuebingen (IMIT), Institute for Bioinformatics and Medical Informatics (IBMI), University of Tuebingen, Tuebingen, Germany.
Rebecca J M GossChemistry Department, University of St Andrews, St Andrews, UK.ORCID 0000-0001-9869-8205
Pierre GuyomardBonsai team, CRIStAL - Centre de Recherche en Informatique Signal et Automatique de Lille, Université de Lille, Villeneuve d'Ascq Cedex, France.ORCID 0000-0003-3130-2258
Andrea VolkamerCenter for Bioinformatics, Saarland University, Saarbrücken, Germany.
William H GerwickScripps Institution of Oceanography, University of California San Diego, La Jolla, CA, USA.
Hyun Uk KimDepartment of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, Korea.ORCID 0000-0001-7224-642X
Rolf MüllerHelmholtz Institute for Pharmaceutical Research Saarland (HIPS), Helmholtz Centre for Infection Research (HZI), Saarbrücken, Germany.ORCID 0000-0002-1042-5665
Gilles P van WezelDepartment of Molecular Biotechnology, Institute of Biology, Leiden University, Leiden, The Netherlands.ORCID 0000-0003-0341-1561
Gerard J P van WestenDrug Discovery and Safety, Leiden Academic Centre for Drug Research, Leiden, The Netherlands. gerard@lacdr.leidenuniv.nl.ORCID 0000-0003-0717-1817
Anna K H HirschHelmholtz Institute for Pharmaceutical Research Saarland (HIPS), Helmholtz Centre for Infection Research (HZI), Saarbrücken, Germany. anna.hirsch@helmholtz-hips.de.ORCID 0000-0001-8734-4663
Roger G LiningtonDepartment of Chemistry, Simon Fraser University, Burnaby, British Columbia, Canada. rliningt@sfu.ca.ORCID 0000-0003-1818-4971
Serina L RobinsonDepartment of Environmental Microbiology, Eawag: Swiss Federal Institute for Aquatic Science and Technology, Dübendorf, Switzerland. serina.robinson@eawag.ch.ORCID 0000-0001-6947-7913
Marnix H MedemaBioinformatics Group, Wageningen University, Wageningen, The Netherlands. marnix.medema@wur.nl.ORCID 0000-0002-2191-2821
Funding
Women's Cancer Research ProgramP30CA014236 · NCI · DUKE UNIVERSITY · PI JOHN N. NORTON · 1985 to 2026
$174.8MPILOT AND FEASIBILITY STUDIESP30DK034987 · NIDDK · UNIV OF NORTH CAROLINA CHAPEL HILL · PI Temitope O. Keku · 1985 to 2026
$30.5MUrgent Covid-19 Revision to the Center for High-Throughput Functional Annotation of Natural ProductsU41AT008718 · NCCIH · UT SOUTHWESTERN MEDICAL CENTER · PI CECH, NADJA B, LININGTON, ROGER G · 2015 to 2024
$10.1MNP-MRD: Natural Products Magnetic Resonance DatabaseU24AT010811 · NCCIH · BATTELLE PACIFIC NORTHWEST LABORATORIES · PI CORT, JOHN R · 2020 to 2024
$4.1MMolecular analysis of bacterial interactionsR35GM150870 · NIGMS · GEORGIA INSTITUTE OF TECHNOLOGY · PI Neha Garg · 2023 to 2026
$1.5MNCCIH NIH HHS U24 AT010811NCCIH NIH HHS U41 AT008718NCI NIH HHS P30 CA014236NIDDK NIH HHS P30 DK034987NIGMS NIH HHS R35 GM150870
Abstract
Developments in computational omics technologies have provided new means to access the hidden diversity of natural products, unearthing new potential for drug discovery. In parallel, artificial intelligence approaches such as machine learning have led to exciting developments in the computational drug design field, facilitating biological activity prediction and de novo drug design for molecular targets of interest. Here, we describe current and future synergies between these developments to effectively identify drug candidates from the plethora of molecules produced by nature. We also discuss how to address key challenges in realizing the potential of these synergies, such as the need for high-quality datasets to train deep learning algorithms and appropriate strategies for algorithm validation.
Indexed as
Artificial IntelligenceBiological ProductsAlgorithmsDrug DesignDrug DiscoveryHumansMachine LearningBiological Products
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.