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Molecules publishes Special Issues to create collections of papers on specific topics, with the aim of building a community of authors and readers to discuss the latest research and develop new ideas and research directions. Special Issues are led by Guest Editors, who are experts on the topic and all Special Issue submissions follow MDPI's standard editorial process. The journal’s Editor-in-Chief and/or designated Editorial Board Member will oversee Guest Editor appointments and Special Issue proposals, checking their content for relevance and ensuring the suitability of the material for the journal. The papers published in a Special Issue will be collected and displayed on a dedicated page of the journal’s website. Further information on MDPI's Special Issue policies and Guest Editor responsibilities can be found here. For any inquiries related to a Special Issue, please contact the Editorial Office.

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Deep Learning for Bioinformatics Application
edited by
submission deadline 30 Nov 2026 | Viewed by 78 | Submission Open
Keywords: deep learning; artificial neural networks; graph neural networks; representation learning; generative models; structural bioinformatics; molecular computing; protein structure prediction; drug discovery    
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Bioactive Compounds from Plants: From Discovery to Biomedical Application
edited by
submission deadline 30 Nov 2026 | Viewed by 71 | Submission Open
Keywords: plant bioactive extracts; plant by-products; bioactive compounds; phytochemicals; extraction; biomedical applications
(This special issue belongs to the Section Natural Products Chemistry)
Harnessing Nature’s Chemical Diversity: Innovations in Isolation, Identification, and Synthesis—2nd Edition
edited by Niko Radulović and
submission deadline 30 Nov 2026 | Viewed by 61 | Submission Open
Keywords: natural product chemistry; phytochemistry and essential oils; isolation and structural elucidation; chromatographic techniques (GC; HPLC; etc.); mass spectrometry (GC-MS; LC-MS; etc.); NMR spectroscopy; analytical chemistry; synthetic and semi-synthetic methods; bioactive compounds and biological activity; medicinal and aromatic plants; chemotaxonomy; chemical ecology and plant defense mechanisms; biotechnological applications; structure– activity relationships (SAR); biomimetic synthesis
(This special issue belongs to the Section Natural Products Chemistry)
Physicochemical and Thermodynamic Aspects of Advanced Materials
edited by
submission deadline 30 Nov 2026 | Viewed by 59 | Submission Open
Keywords: nanomaterials; surface functionalization; thermodynamic properties; drug delivery; stimuli-responsive systems; biomolecular interactions; biointerface interactions
(This special issue belongs to the Section Physical Chemistry)
Functional Materials for Gas Separation and Water Treatment
edited by
submission deadline 30 Nov 2026 | Viewed by 56 | Submission Open
Keywords: adsorption materials and processes; catalytic degradation and conversion; membrane separation; advanced porous frameworks (MOFs; COFs; HOFs; zeolites); materials synthesis and functionalization; pore architecture and molecular design; artificial intelligence for material discovery
(This special issue belongs to the Section Applied Chemistry)
Coumarin-Based Compounds as Multifunctional Anticancer Agents
edited by
submission deadline 30 Nov 2026 | Viewed by 33 | Submission Open
Keywords: coumarin; anticancer agents; apoptosis; multitargeting; natural products; drug discovery; in vivo models; structure– activity relationship
(This special issue belongs to the Section Medicinal Chemistry)
Terpenes, Steroids and Their Derivatives, 3rd Edition
edited by
submission deadline 1 Dec 2026 | Viewed by 388 | Submission Open
Keywords: terpene and steroid chemistry; biochemistry; repurposing; and practical utilization; terpene and steroid derivative synthesis; isolation and analysis of terpenes and steroids; terpene and steroid medicinal; as well as cosmetic; utilization; fluorescent labelling; bio-imaging
Next-Generation Methods for Pesticide Residue Detection
edited by and
submission deadline 1 Dec 2026 | Viewed by 192 | Submission Open
Keywords: pesticide residue analysis; advanced detection techniques; food and environmental safety; sample pretreatment; microextraction techniques; green analytical chemistry
(This special issue belongs to the Section Analytical Chemistry)
Design and Application of Luminescent Compounds submission deadline 10 Dec 2026 | Viewed by 165 | Submission Open
Keywords: luminescent compounds; molecular design; photophysical properties; structure– property relationships; coordination complexes; functional materials; optical application
(This special issue belongs to the Section Photochemistry)
Design, Synthesis, and Theoretical Studies of Enzyme Inhibitors submission deadline 14 Dec 2026 | 2 articles | Viewed by 5551 | Submission Open
Keywords: enzyme inhibitors; molecular docking; drug discovery
(This special issue belongs to the Section Medicinal Chemistry)
Bioactive Components in Plants: Extraction, Characterization and Antioxidant Activity
edited by
submission deadline 15 Dec 2026 | 1 articles | Viewed by 1447 | Submission Open
Keywords: bioactive compounds; plant extracts; extraction of bioactives; polyphenols; chemical characterization; antioxidant activity; green chemistry
(This special issue belongs to the Section Natural Products Chemistry)
NMR Spectroscopy in Medical Diagnosis and Precision Medicine: Current Trends and Future Directions submission deadline 15 Dec 2026 | Viewed by 663 | Submission Open
Keywords: NMR spectroscopy; metabolomics; lipidomics; biomarkers; medical diagnosis; precision medicine
(This special issue belongs to the Section Applied Chemistry)
Biologically Active Nitrogen-Containing Heterocyclic Compounds
edited by and Sara Janowska
submission deadline 15 Dec 2026 | Viewed by 321 | Submission Open
Keywords: nitrogen-containing heterocyclic compounds; biological activity; drug design; molecular docking; synthesis; structure– activity relationship (SAR); medicinal chemistry; bioactive molecule
(This special issue belongs to the Section Medicinal Chemistry)
Bioactive Compounds and Biological Activity of Plants from the Cerrado and Amazon
edited by Paula Becker Pertuzatti, and Julia Teixeira De Paula
submission deadline 15 Dec 2026 | Viewed by 289 | Submission Open
Keywords: Cerrado plants; Amazon plants; natural products; sustainable biodiversity; health benefits; extraction and characterization
(This special issue belongs to the Section Natural Products Chemistry)
Featured Review Papers in Green Chemistry
edited by
submission deadline 15 Dec 2026 | Viewed by 231 | Submission Open
Keywords: green catalysts; green extraction and processing; chemistry based on natural products; bio-based solvents with sub- and super-critical fluids; microwave and ultrasound; organic reaction in green solvents; bioconversion of biomass and sustainable biomaterials; creating fine chemicals and polymers from renewable resources; green nanotechnology; green analytical chemistry; green degradation process
(This special issue belongs to the Section Green Chemistry)
Perovskite-Based Mixed Oxide Catalysts for Environmental and Industrial Applications submission deadline 15 Dec 2026 | Viewed by 51 | Submission Open
Keywords: perovskite-type materials; heterogeneous catalysis; environmental remediation; energy conversion and storage
(This special issue belongs to the Section Materials Chemistry)
Oxidative Stress and Cancer Therapy: Molecular Mechanisms, Drug Delivery, and Therapeutic Response
edited by
submission deadline 16 Dec 2026 | 1 articles | Viewed by 510 | Submission Open
Keywords: oxidative stress; reactive oxygen species; ROS; cancer therapy; anticancer agents; lipid peroxidation; ferroptosis; chemoresistance; drug resistance; antioxidant defense; redox signaling; redox homeostasis; drug delivery; nanomedicine; targeted delivery; combination therapy; immunogenic cell death; redox active compounds; natural products; therapeutic response
(This special issue belongs to the Section Chemical Biology)
Bioactive Natural Products: The Potential Sources of New Drugs submission deadline 20 Dec 2026 | 3 articles | Viewed by 3695 | Submission Open
Keywords: bioactive natural compounds; chemical characterization and optimization; bioactive natural products’ safety; cytotoxicity; bioactive natural products’ mechanisms of action; biological activities in vitro and in vivo; chronic diseases; bioactive natural product in non-communicable diseases-chronic inflammation/chronic stress/drug discovery/anticancer
(This special issue belongs to the Section Natural Products Chemistry)
Characterization of Organic Ligands: Correlations Between Results by Electrochemistry and Other Methods
edited by Eleonora-Mihaela Ungureanu
submission deadline 20 Dec 2026 | 1 articles | Viewed by 1316 | Submission Open
Keywords: connections; electrochemical experiments; characterization of organic ligands; DFT calculations of ligand properties; optical methods; electrochemical methods; surface characterization methods (SEM; AFM; Raman; etc.); analytical methods
(This special issue belongs to the Section Applied Chemistry)
Elemental Analysis and Determination for Food and Environmental Samples
edited by Kelly das Graças Fernandes Dantas and
submission deadline 20 Dec 2026 | 1 articles | Viewed by 691 | Submission Open
Keywords: spectroanalytical techniques; mineral composition; sample preparation; essential elements; toxic elements; food safety; nutritional analysis; environmental monitoring
(This special issue belongs to the Section Analytical Chemistry)
Terpenoids: Chemistry, Structural Diversity, and Biological Activities
edited by and Valentina Parisi
submission deadline 20 Dec 2026 | Viewed by 147 | Submission Open
Keywords: terpenoids; chemical diversity; specialised metabolites; drug discovery; plant-derived compounds; biological activity; biotechnology; metabolomics
(This special issue belongs to the Section Natural Products Chemistry)
Functional Supramolecular Gels: Design, Dynamics, and Applications submission deadline 20 Dec 2026 | Viewed by 123 | Submission Open
Keywords: hydrogels; organogels; ionogels; hybrid supramolecular gels; gel properties; gel applications
(This special issue belongs to the Section Materials Chemistry)
Rare Earth Materials: From Design to Applications
edited by Meng Ju
submission deadline 20 Dec 2026 | Viewed by 107 | Submission Open
Keywords: rare earth; crystal structure; spectral characteristic; luminescence; energy conversion; electronic properties; optical communications
(This special issue belongs to the Section Applied Chemistry)
AI in Materials Design and Discovery
edited by Guanjie Wang
submission deadline 20 Dec 2026 | Viewed by 103 | Submission Open
Keywords: materials informatics; materials large language model and agent; explainable machine learning; computational materials science; high-throughput screening; molecules inverse design; structure– property relationships; data-driven discovery
(This special issue belongs to the Section Materials Chemistry)
Advancement in Natural and Novel Antimicrobial Agents submission deadline 30 Dec 2026 | 1 articles | Viewed by 564 | Submission Open
Keywords: bacterial priority list; antimicrobial resistance; natural compounds; novel antibacterial agents; synthetic antimicrobial compounds; extraction; synthesis; antimicrobial activity
(This special issue belongs to the Section Medicinal Chemistry)
Ab-Initio Molecular Dynamics Studies of Chemical Reactions in the Gas Phase, Condensed Phases and Interfaces
edited by Robert Benny Gerber and Imon Mandal
submission deadline 30 Dec 2026 | 1 articles | Viewed by 402 | Submission Open
Keywords: ab initio molecular dynamics; chemical reactions; reaction mechanism and dynamics; potential energy surfaces; trajectories
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Phenolic Composition and Antioxidant Activity of Natural Products submission deadline 30 Dec 2026 | 1 articles | Viewed by 319 | Submission Open
Keywords: metabolomics; extracts; phenolic compounds; antioxidants; plants; fungi; lichens; phytotherapy
(This special issue belongs to the Section Natural Products Chemistry)
Bioactive Ingredients in Foods: Delivery, Stabilization, and Functionality submission deadline 30 Dec 2026 | Viewed by 239 | Submission Open
Keywords: antioxidant capacity; bioactive compounds; bioactive nutrients; carotenoids; food matrix; functional food; health benefits; natural sources; phytochemicals; polyphenols
(This special issue belongs to the Section Food Chemistry)
Recent Research Advances in Green Extraction of Natural Products submission deadline 30 Dec 2026 | 1 articles | Viewed by 214 | Submission Open
Keywords: sustainable chemistry; natural products; bio-based solvents; process intensification; sustainable extraction technologies; biomass valorization
(This special issue belongs to the Section Natural Products Chemistry)
Sustainable Electrochemical Platforms for Clinical and Environmental Determination submission deadline 30 Dec 2026 | Viewed by 100 | Submission Open
Keywords: sustainable electrochemistry; electrochemical biosensors; environmental monitoring; green synthesis; point-of-care diagnostics; biomass-derived carbon; emerging pollutants; nanocomposites; screen-printed electrodes; molecular detection
(This special issue belongs to the Section Electrochemistry)
Novel Polymer Materials for Environmental Applications submission deadline 30 Dec 2026 | Viewed by 95 | Submission Open
Keywords: bioplastics; polymer biocomposites; ecological packaging; polymer waste recovery; microplastics; photocatalytic polymers; conductive polymers; polymeric membranes; biodegradation of polymers
(This special issue belongs to the Section Materials Chemistry)
Advanced Techniques for the Chemical Analysis and Removal of Environmental Pollutants
edited by Anca-Iulia Stoica
submission deadline 30 Dec 2026 | Viewed by 94 | Submission Open
Keywords: pollutant monitoring; emerging contaminants; advanced techniques; removal of pollutants; eco-friendly treatments; nature-based solutions; environmental management
Drug Discovery Based on Non-Mammalian Models
edited by
submission deadline 30 Dec 2026 | Viewed by 65 | Submission Open
Keywords: disease models; drug discovery; zebrafish; drosophila melanogaster; caenorhabditis elegans
(This special issue belongs to the Section Medicinal Chemistry)
30th Anniversary of Molecules—Recent Advances in Organic Chemistry
edited by , Antonia Di Mola and
submission deadline 31 Dec 2026 | 21 articles | Viewed by 30991 | Submission Open
Keywords: organic synthesis; organic chemistry research; theoretical study; reaction mechanisms; catalysis
(This special issue belongs to the Section Organic Chemistry)
30th Anniversary of Molecules—Recent Advances in Chemical Biology submission deadline 31 Dec 2026 | 13 articles | Viewed by 26327 | Submission Open
Keywords: bioorthogonal chemistry; peptides; nucleic acids; proteins; analytical methods; chemical inhibitors; chemical probe; ubiquitination; structure-activity relationship
(This special issue belongs to the Section Chemical Biology)
30th Anniversary of Molecules: Recent Advances and the Next in Macromolecular Chemistry submission deadline 31 Dec 2026 | 9 articles | Viewed by 25771 | Submission Open
Keywords: macromolecular chemistry; synthetic polymers; natural polymers; polymerization mechanisms and kinetics; supramolecular self-assembly; biological macromolecules
(This special issue belongs to the Section Macromolecular Chemistry)
Featured Review Papers in Food Chemistry—2nd Edition
edited by
submission deadline 31 Dec 2026 | 7 articles | Viewed by 20453 | Submission Open
Keywords: food analysis; food additives; food supplements; functional foods; physicochemical properties; agro-food wastes recycling; bioaccessibility and bioavailability; food stability; food security
(This special issue belongs to the Section Food Chemistry)
Advances in Coordination Chemistry, 3rd Edition
edited by Juan Niclós-Gutiérrez and
submission deadline 31 Dec 2026 | 8 articles | Viewed by 19749 | Submission Open
Keywords: synthesis strategies for novel coordination compounds; coordination compounds with tailor-made ligands for specific applications; coordination compounds with multitopic ligands; single-crystal XRD structures and dimensionality of metal complexes; metal– organic frameworks and their applications; molecular recognition in mixed ligand– metal complexes at the molecular and/or supra-molecular levels; model metal complexes from the bioinorganic frontier of biological chemistry; DFT and other theoretical approaches for inter-ligand interactions in metal complexes
(This special issue belongs to the Section Inorganic Chemistry)
Biologically Active Molecules: Extraction Strategies, Therapeutic Potential and Biomedical Perspective
edited by
submission deadline 31 Dec 2026 | 9 articles | Viewed by 17647 | Submission Open
Keywords: natural bioactive components; extraction techniques; therapeutic and biomedical profiling
(This special issue belongs to the Section Medicinal Chemistry)
Review Papers in Analytical Chemistry, 2nd Edition
edited by
submission deadline 31 Dec 2026 | 4 articles | Viewed by 17592 | Submission Open
Keywords: analytical chemistry; analytical spectroscopy; environmental sciences; medical science; forensic science; cultural heritage; food analysis
(This special issue belongs to the Section Analytical Chemistry)
30th Anniversary of Molecules—Recent Advances in Inorganic Chemistry submission deadline 31 Dec 2026 | 10 articles | Viewed by 15407 | Submission Open
Keywords: inorganic chemistry; coordination chemistry; solid-state chemistry; nanomaterials; organometallics; transition and main group metal chemistry; catalysis; bioinorganic chemistry
(This special issue belongs to the Section Inorganic Chemistry)
The 30th Anniversary of Molecules—Recent Advances in Natural Products Chemistry submission deadline 31 Dec 2026 | 7 articles | Viewed by 13172 | Submission Open
Keywords: natural compounds; bioactive molecules; drug discovery; pharmacological activity; formulations; drug delivery systems; food applications and additives; cosmetic applications; synthesis
(This special issue belongs to the Section Natural Products Chemistry)
30th Anniversary of Molecules—Recent Advances in Analytical Chemistry submission deadline 31 Dec 2026 | 7 articles | Viewed by 10208 | Submission Open
Keywords: chromatography and advanced mass spectrometry; atomic spectroscopy and elemental mass spectrometry; molecular spectroscopy; miniaturization of analytical instruments; ohmics; nanomaterials and sensors; automation and high-throughput screening; single-cell analysis; non-invasive analysis/techniques; green analytical chemistry
(This special issue belongs to the Section Analytical Chemistry)
Modern Trends and Solutions in Analytical Chemistry in Poland
edited by
submission deadline 31 Dec 2026 | 9 articles | Viewed by 8794 | Submission Open
Keywords: analytical and physical chemistry; separation sciences; chromatographic methods and related techniques (HPLC; SPE; SFC; GC; CZE; UPLC; GC × GC; and others); sample preparation and extraction techniques (SPE; QuEChERS/d-SPE; SPME; SBSE; HFLPME; DLLME; FUSLE; and others); detection techniques (DAD; FLD; MS; MS/MS; and others); spectrometry; bioanalytics; proteomics; metabolomics; and lipidomics; nanotechnology; environmental sciences; natural product chemistry (isolation; identification and quantification of bioactive compounds; and in vitro and then in vivo investigations on their biological activity); food analysis and food safety; xenobiotics analysis in environmental; biological; and food samples; chemometrics and statistical analysis
(This special issue belongs to the Section Analytical Chemistry)
Advances and Opportunities of Natural Products in Drug Discovery submission deadline 31 Dec 2026 | 8 articles | Viewed by 8495 | Submission Open
Keywords: natural products; drug discovery; pharmacological activity; biological activity; new compounds
(This special issue belongs to the Section Natural Products Chemistry)
30th Anniversary of Molecules—Recent Advances in Bioorganic Chemistry submission deadline 31 Dec 2026 | 9 articles | Viewed by 8380 | Submission Open
Keywords: bioorganic chemistry; chemoenzymatic synthesis; biocatalysis; biomimetic synthesis; biomolecular interactions; functional biomolecules; molecular recognition
(This special issue belongs to the Section Bioorganic Chemistry)
Chemical Analysis of Pollutant in the Environment submission deadline 31 Dec 2026 | 5 articles | Viewed by 8282 | Submission Open
Keywords: inorganic and organic pollutants; persistent organic pollutants; heavy metals; nano- and microplastics; chemical methods; instrumental methods; validation
(This special issue belongs to the Section Green Chemistry)
Advance in Radiochemistry, 2nd Edition
edited by
submission deadline 31 Dec 2026 | 6 articles | Viewed by 7878 | Submission Open
Keywords: radiochemistry; radionuclide (radioisotopes); radiolabeling; radiopharmaceutical (radiotracer); nuclear medicine; theranostics (diagnostics and therapeutics); molecular imaging
(This special issue belongs to the Section Medicinal Chemistry)
Innovative Approaches to Sustainable Wastewater Treatment—Recent Developments in Hazardous Pollutants Removal submission deadline 31 Dec 2026 | 6 articles | Viewed by 7637 | Submission Open
Keywords: wastewater treatment; industrial wastewater; physical methods; chemical methods; biological methods; emerging micropollution; dyes; heavy metals; removal; (bio)sorbent; ion exchange resin
(This special issue belongs to the Section Green Chemistry)
Back to Nature: Pharmacological Activities of Phytochemicals Isolated from Medicinal Plants
edited by and Ludmila Yarmolinsky
submission deadline 31 Dec 2026 | 7 articles | Viewed by 7634 | Submission Open
Keywords: medicinal plant; pharmacological activity; phytochemical; disease; drug; therapeutic; polyphenol; terpene; carotenoid; saponin; alkaloid; thiophene; sugar; fatty oil; resin; phytosterol; protein; peptide; anti-inflammatory; antidiabetic; neuroprotective; anticancer; antioxidative; antimicrobial; antiviral; antifungal
(This special issue belongs to the Section Natural Products Chemistry)
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