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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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Nicotinamide Adenine Dinucleotide (NAD) Metabolism and Related Drug Compounds (Second Edition) submission deadline 30 Jun 2026 | Viewed by 24 | Submission Open
Keywords: NAD metabolism; NAD enzymology; NAD biosynthesis; NAD degradation; pyridine drugs; niacin; vitamin B3; drug discovery; NAD-based therapeutics
(This special issue belongs to the Section Chemical Biology)
Inorganic Chemistry in Asia, 2nd Edition
edited by
submission deadline 30 Jun 2026 | Viewed by 21 | Submission Open
Keywords: inorganic chemistry; coordination chemistry; organometallic chemistry; solid-state chemistry; bioinorganic chemistry; nuclear- and radiochemistry; theoretical calculation
(This special issue belongs to the Section Inorganic Chemistry)
Crystal and Molecular Structure: Theory and Application submission deadline 30 Jun 2026 | Viewed by 21 | Submission Open
Keywords: crystal structure; molecular structure; DFT; structural analysis; molecular modeling; calculations; physicochemical analysis; polymorphism
(This special issue belongs to the Section Applied Chemistry)
Advances in Computer-Aided Drug Design and Synthesis
edited by
submission deadline 30 Jun 2026 | Viewed by 19 | Submission Open
Keywords: natural products; extraction; pharmacological potential; biological activities
Synthesis and Characterization of Hybrid Biomaterials for Life Sciences submission deadline 30 Jun 2026 | Viewed by 12 | Submission Open
Keywords: hybrid material; biomaterials; drug release; antimicrobial test; chemical characterization; natural polymers; bioactivity assessment; bioactivity
(This special issue belongs to the Section Materials Chemistry)
Design and Application of Functional Supramolecular Materials
edited by
submission deadline 9 Jul 2026 | Viewed by 9 | Submission Open
Keywords: supramolecular chemistry; noncovalent interactions; self-assembly; host– guest chemistry; functional materials
(This special issue belongs to the Section Materials Chemistry)
Indole Derivatives: Synthesis and Application III
edited by
submission deadline 31 Jul 2026 | Viewed by 7 | Submission Open
Keywords: organic synthesis; natural products; heterocyclic compounds; ring cyclisations; metal complexes; organometallic compounds; polymers; molecular rearrangements; biological activity
Droplet Chemistry: Superwetting, Evaporation and Applications submission deadline 30 Aug 2026 | Viewed by 4 | Submission Open
Keywords: superwetting; evaporation control; droplet manipulation; evaporation dynamics
(This special issue belongs to the Section Physical Chemistry)
5th Anniversary of Section Flavours and Fragrances and 30th Anniversary of Molecules
edited by
submission deadline 31 Oct 2026 | 3 articles | Viewed by 3236 | Submission Open
Keywords: flavor; aroma; taste; fragrances; volatilomics; flavoromics; sensomics; food flavors; analysis of flavor compounds
(This special issue belongs to the Section Flavours and Fragrances)
30th Anniversary of Molecules—Recent Advances in Materials Chemistry
edited by , and Mu-Ping Nieh
submission deadline 30 Nov 2026 | 10 articles | Viewed by 7288 | Submission Open
Keywords: materials chemistry; synthetic procedures; characterization procedures; nanomaterials and nanocomposites; biologically oriented materials and biomaterials; materials of natural origin; hybrid composites; mechanical properties; long-term durability
(This special issue belongs to the Section Materials Chemistry)
30th Anniversary of Molecules—Recent Advances in Computational and Theoretical Chemistry
edited by
submission deadline 30 Nov 2026 | 5 articles | Viewed by 2588 | Submission Open
Keywords: computational chemistry; quantum chemistry; density functional theory; molecular design; reaction mechanism; chemical bonding; non-covalent interactions; molecular docking
(This special issue belongs to the Section Computational and Theoretical Chemistry)
30th Anniversary of Molecules: Recent Advances and the Next in Macromolecular Chemistry submission deadline 31 Dec 2026 | 5 articles | Viewed by 5841 | 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)
30th Anniversary of Molecules—Recent Advances in Inorganic Chemistry submission deadline 31 Dec 2026 | 8 articles | Viewed by 3310 | 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)
30th Anniversary of Molecules—Recent Advances in Analytical Chemistry submission deadline 31 Dec 2026 | 1 articles | Viewed by 1234 | 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)
30th Anniversary of Molecules—Recent Developments in Biobased Polymers submission deadline 31 Dec 2026 | 1 articles | Viewed by 923 | Submission Open
Keywords: biobased polymers; sustainability; biodegradability; polymer recycling; polymer composites; polymer processing; green chemistry
(This special issue belongs to the Section Materials Chemistry)
30th Anniversary of Molecules: Recent Advances in Organometallic Chemistry
edited by
submission deadline 31 Dec 2026 | Viewed by 59 | Submission Open
Keywords: metal– organic framework; organometallic compounds; coordination assembly; metal– organic cluster; metal– organic cage; supramolecular chemistry
(This special issue belongs to the Section Organometallic Chemistry)
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