{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,12]],"date-time":"2026-10-12T12:49:48Z","timestamp":1791809388823,"version":"4.3.4"},"reference-count":69,"publisher":"American Chemical Society (ACS)","issue":"19","license":[{"start":{"date-parts":[[2026,9,17]],"date-time":"2026-09-17T00:00:00Z","timestamp":1789603200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico","doi-asserted-by":"publisher","award":["305839\/2023-3"],"award-info":[{"award-number":["305839\/2023-3"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico","doi-asserted-by":"publisher","award":["310166\/2020-9"],"award-info":[{"award-number":["310166\/2020-9"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004586","name":"Funda??o Carlos Chagas Filho de Amparo ? Pesquisa do Estado do Rio de Janeiro","doi-asserted-by":"publisher","award":["200.441\/2026"],"award-info":[{"award-number":["200.441\/2026"]}],"id":[{"id":"10.13039\/501100004586","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004586","name":"Funda??o Carlos Chagas Filho de Amparo ? Pesquisa do Estado do Rio de Janeiro","doi-asserted-by":"publisher","award":["201.186\/2022"],"award-info":[{"award-number":["201.186\/2022"]}],"id":[{"id":"10.13039\/501100004586","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002322","name":"Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior","doi-asserted-by":"publisher","award":["Finance code 001"],"award-info":[{"award-number":["Finance code 001"]}],"id":[{"id":"10.13039\/501100002322","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,10,12]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Antioxidant peptides are emerging as promising therapeutic and nutraceutical agents because of their capacity to neutralize free radicals, modulate oxidative stress, and contribute to disease prevention in fields ranging from oncology to dermatology and food science. However, traditional computational approaches often fail to capture the biochemical semantics and evolutionary context of peptide sequences, limiting the predictive accuracy and mechanistic interpretability. Here, we present an explainable deep learning framework integrating evolutionary scale modeling (ESM) embeddings with a temporal convolutional network (TCN) and long short-term memory (LSTM) architecture to classify antioxidant peptides and uncover key sequence determinants of activity. ESM embeddings provide rich evolutionary and structural priors, enabling the model to capture both local k-mer motifs and global sequence dependencies. To ensure transparency, we employed a multimethod interpretability strategy using Anchor, LIME, and SHAP, which identified robust, potentially biologically meaningful hypotheses containing residues rich in cysteine (C), arginine (R), lysine (K), histidine (H), aspartic acid (D), glutamic acid (E), threonine (T), glutamine (Q), proline (P), methionine (M), tyrosine (Y), and tryptophan (W) as central to antioxidant activity. Anchor offered deterministic, high-precision motif rules, while LIME and SHAP highlighted redundant and context-dependent contributions, together forming a layered interpretability framework. This study not only achieves state-of-the-art classification performance but also bridges black-box modeling and biochemical understanding, offering a generalizable, hypothesis-generating platform for rational peptide design and discovery that is important in human health.<\/jats:p>","DOI":"10.1021\/acs.jcim.6c01872","type":"journal-article","created":{"date-parts":[[2026,9,17]],"date-time":"2026-09-17T14:02:09Z","timestamp":1789653729000},"page":"12430-12447","source":"Crossref","is-referenced-by-count":1,"title":["Explainable Artificial\nIntelligence to Unveil Patterns\nof Antioxidant Peptides for Free Radical Regulation"],"prefix":"10.1021","volume":"66","author":[{"ORCID":"https:\/\/orcid.org\/0009-0009-2232-7059","authenticated-orcid":true,"given":"Maria Carolina J. A.","family":"Schneider","sequence":"first","affiliation":[{"name":"Pontifi\u0301cia Universidade Cato\u0301lica do Rio de Janeiro , , ,","place":["Rio de Janeiro, RJ, Brazil, 22453-900"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0007-3061-8281","authenticated-orcid":true,"given":"Ba\u0301rbara Saraiva","family":"Souza","sequence":"additional","affiliation":[{"name":"Pontifi\u0301cia Universidade Cato\u0301lica do Rio de Janeiro , , ,","place":["Rio de Janeiro, RJ, Brazil, 22453-900"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0003-6494-4959","authenticated-orcid":true,"given":"Leonardo Vasconcelos","family":"Ferreira","sequence":"additional","affiliation":[{"name":"Pontifi\u0301cia Universidade Cato\u0301lica do Rio de Janeiro , , ,","place":["Rio de Janeiro, RJ, Brazil, 22453-900"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0001-3232-8436","authenticated-orcid":true,"given":"Marina Geisiely","family":"Damaso","sequence":"additional","affiliation":[{"name":"Pontifi\u0301cia Universidade Cato\u0301lica do Rio de Janeiro , , ,","place":["Rio de Janeiro, RJ, Brazil, 22453-900"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1301-0561","authenticated-orcid":true,"given":"Andre\u0301 Silva","family":"Pimentel","sequence":"additional","affiliation":[{"name":"Pontifi\u0301cia Universidade Cato\u0301lica do Rio de Janeiro , , ,","place":["Rio de Janeiro, RJ, Brazil, 22453-900"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,9,17]]},"reference":[{"issue":"3","key":"2026101208075934400_cit1","doi-asserted-by":"publisher","first-page":"1240","DOI":"10.1002\/fft2.383","article-title":"Recent Progress of Food-derived Bioactive Peptides: Extraction, Purification,\nFunction, and Encapsulation","volume":"5","author":"Jiang","year":"2024","journal-title":"Food Front."},{"key":"2026101208075934400_cit2","doi-asserted-by":"publisher","DOI":"10.3389\/fcimb.2021.668632","article-title":"Antimicrobial\nPeptides: A New Hope\nin Biomedical and Pharmaceutical Fields","volume":"11","author":"Moretta","year":"2021","journal-title":"Front.\nCell. Infect. Microbiol."},{"issue":"1","key":"2026101208075934400_cit3","doi-asserted-by":"publisher","DOI":"10.1038\/s41392-022-00904-4","article-title":"Therapeutic\nPeptides: Current Applications and Future Directions","volume":"7","author":"Wang","year":"2022","journal-title":"Signal Transduction Targeted Ther."},{"key":"2026101208075934400_cit4","doi-asserted-by":"publisher","DOI":"10.1016\/j.fbio.2025.105825","article-title":"Novel Antioxidant Peptides\nfrom Hydrolyzed Proteins of Volvariella Volvacea: Purification, Characterization\nand Protective Effects on H2O2-Induced Human Skin Fibroblasts","volume":"64","author":"Xu","year":"2025","journal-title":"Food Biosci."},{"issue":"3","key":"2026101208075934400_cit5","doi-asserted-by":"publisher","first-page":"273","DOI":"10.1002\/fbe2.12057","article-title":"Bioactive\nPeptides: Synthesis, Applications, and Associated Challenges","volume":"2","author":"Alzaydi","year":"2023","journal-title":"Food Bioeng."},{"issue":"1","key":"2026101208075934400_cit6","doi-asserted-by":"publisher","first-page":"275","DOI":"10.1002\/med.21986","article-title":"Antioxidant Peptides, the Guardian of Life from Oxidative Stress","volume":"44","author":"Zhu","year":"2024","journal-title":"Med. Res. Rev."},{"issue":"10","key":"2026101208075934400_cit7","doi-asserted-by":"publisher","DOI":"10.3390\/antiox13101203","article-title":"Antioxidant Function\nand Application of Plant-Derived Peptides","volume":"13","author":"Zhu","year":"2024","journal-title":"Antioxidants"},{"key":"2026101208075934400_cit8","doi-asserted-by":"publisher","DOI":"10.1016\/j.foodchem.2025.143485","article-title":"Identification and Characterization of Novel Antioxidant\nPeptides from Yunnan Dry-Cured Beef: A Combined in Silico and in Vitro\nStudy","volume":"477","author":"Wang","year":"2025","journal-title":"Food Chem."},{"issue":"2","key":"2026101208075934400_cit9","doi-asserted-by":"publisher","DOI":"10.3390\/antiox13020203","article-title":"New Insights into\nAntioxidant Peptides: An Overview of Efficient Screening, Evaluation\nModels, Molecular Mechanisms, and Applications","volume":"13","author":"Zhang","year":"2024","journal-title":"Antioxidants"},{"key":"2026101208075934400_cit10","doi-asserted-by":"publisher","DOI":"10.1016\/j.fbio.2024.105288","article-title":"Recent Progress\nin the Antimicrobial and Antioxidant Peptide Activated Film\/Coatings\nfor Food Packaging Applications: A Review","volume":"62","author":"Roy","year":"2024","journal-title":"Food\nBiosci."},{"key":"2026101208075934400_cit11","doi-asserted-by":"publisher","DOI":"10.1016\/j.foodchem.2020.127678","article-title":"New Insights into the\nStructure-Activity Relationships of Antioxidative Peptide PMRGGGGYHY","volume":"337","author":"Wu","year":"2021","journal-title":"Food Chem."},{"key":"2026101208075934400_cit12","doi-asserted-by":"publisher","DOI":"10.1016\/j.foodres.2023.113585","article-title":"Identification\nof Antioxidant Peptides Targeting Keap1\u2013Nrf2\u2013ARE Pathway\nfrom in Vitro Digestion of Pork Sausage with Partial Substitution\nof NaCl by KCl","volume":"174","author":"Zou","year":"2023","journal-title":"Food Res. Int."},{"key":"2026101208075934400_cit13","doi-asserted-by":"publisher","DOI":"10.1016\/j.jddst.2023.105087","article-title":"Anti-Aging\nPeptides for Advanced Skincare: Focus on Nanodelivery Systems","volume":"89","author":"Veiga","year":"2023","journal-title":"J. Drug Delivery Sci. Technol."},{"key":"2026101208075934400_cit14","doi-asserted-by":"publisher","DOI":"10.1093\/database\/baae016","article-title":"AagingBase: A Comprehensive Database\nof Anti-Aging Peptides.","volume":"2024","author":"R","year":"2024","journal-title":"Database"},{"key":"2026101208075934400_cit15","doi-asserted-by":"publisher","DOI":"10.1177\/2040622320964125","article-title":"Advancements in Therapeutic\nDrugs Targeting of Senescence","volume":"11","author":"Zhu","year":"2020","journal-title":"Ther. Adv. Chronic\nDis."},{"issue":"9","key":"2026101208075934400_cit16","doi-asserted-by":"publisher","DOI":"10.3390\/ijms19092714","article-title":"Peptides as\nTherapeutic Agents for Inflammatory-Related Diseases","volume":"19","author":"La Manna","year":"2018","journal-title":"Int. J. Mol. Sci."},{"key":"2026101208075934400_cit17","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1155\/2014\/608979","article-title":"Food-Derived Bioactive Peptides on\nInflammation and Oxidative Stress","volume":"2014","author":"Chakrabarti","year":"2014","journal-title":"Biomed Res.\nInt."},{"key":"2026101208075934400_cit18","doi-asserted-by":"publisher","DOI":"10.3389\/fimmu.2024.1413179","article-title":"Advances in the Application\nand Mechanism of Bioactive Peptides in the Treatment of Inflammation","volume":"15","author":"Liu","year":"2024","journal-title":"Front. Immunol."},{"issue":"2","key":"2026101208075934400_cit19","doi-asserted-by":"publisher","DOI":"10.3390\/antiox9020104","article-title":"Antioxidant-Conjugated\nPeptide Attenuated Metabolic Reprogramming in Pulmonary Hypertension","volume":"9","author":"Valuparampil Varghese","year":"2020","journal-title":"Antioxidants"},{"issue":"1","key":"2026101208075934400_cit20","doi-asserted-by":"publisher","DOI":"10.1155\/2021\/5582245","article-title":"Roles of Dietary\nBioactive Peptides in Redox Balance and Metabolic Disorders","volume":"2021","author":"Qiao","year":"2021","journal-title":"Oxid. Med. Cell. Longev."},{"issue":"2","key":"2026101208075934400_cit21","doi-asserted-by":"publisher","DOI":"10.1016\/j.afres.2025.101056","article-title":"Bioactive\nPeptides and Metabolic Health: A Mechanistic Review of the Impact\non Insulin Sensitivity, Lipid Profiles, and Inflammation","volume":"5","author":"Hamadou","year":"2025","journal-title":"Appl. Food Res."},{"key":"2026101208075934400_cit22","doi-asserted-by":"publisher","DOI":"10.3389\/fimmu.2024.1310443","article-title":"Bioactive Peptides: An Alternative\nTherapeutic Approach for Cancer Management","volume":"15","author":"Ghadiri","year":"2024","journal-title":"Front. Immunol."},{"issue":"3","key":"2026101208075934400_cit23","doi-asserted-by":"publisher","first-page":"162","DOI":"10.3177\/jnsv.68.162","article-title":"Biological Functions\nof Antioxidant Dipeptides","volume":"68","author":"OZAWA","year":"2022","journal-title":"J. Nutr. Sci. Vitaminol.\n(Tokyo)."},{"issue":"5","key":"2026101208075934400_cit24","doi-asserted-by":"publisher","first-page":"695","DOI":"10.3136\/fstr.21.695","article-title":"Antioxidant Properties of Tripeptides\nRevealed by a Comparison of Six Different Assays","volume":"21","author":"Ohashi","year":"2015","journal-title":"Food Sci. Technol. Res."},{"issue":"8","key":"2026101208075934400_cit25","doi-asserted-by":"publisher","first-page":"1220","DOI":"10.1039\/d0mt00103a","article-title":"Both Metal-Chelating\nand Free Radical-Scavenging Synthetic Pentapeptides as Efficient Inhibitors\nof Reactive Oxygen Species Generation","volume":"12","author":"Csire","year":"2020","journal-title":"Metallomics"},{"issue":"4","key":"2026101208075934400_cit26","doi-asserted-by":"publisher","DOI":"10.3390\/antiox13040479","article-title":"Advances in Research\non the Activity Evaluation, Mechanism and Structure-Activity Relationships\nof Natural Antioxidant Peptides","volume":"13","author":"Xu","year":"2024","journal-title":"Antioxidants"},{"key":"2026101208075934400_cit27","doi-asserted-by":"publisher","DOI":"10.3389\/fmars.2022.1098091","article-title":"Three Novel Antioxidant\nPeptides\nIsolated from C-Phycocyanin against H2O2-Induced Oxidative Stress\nin Zebrafish via Nrf2 Signaling Pathway","volume":"9","author":"Xu","year":"2022","journal-title":"Front.\nMar. Sci."},{"issue":"10","key":"2026101208075934400_cit28","doi-asserted-by":"publisher","DOI":"10.3390\/foods8100499","article-title":"The Role of\nan Acidic Peptide in\nControlling the Oxidation Process of Walnut Oil","volume":"8","author":"Jie","year":"2019","journal-title":"Foods"},{"issue":"11","key":"2026101208075934400_cit29","doi-asserted-by":"publisher","DOI":"10.3390\/biom12111622","article-title":"Food Protein-Derived Antioxidant\nPeptides: Molecular Mechanism, Stability and Bioavailability","volume":"12","author":"Zhu","year":"2022","journal-title":"Biomolecules"},{"issue":"3","key":"2026101208075934400_cit30","doi-asserted-by":"publisher","first-page":"438","DOI":"10.1016\/j.foodchem.2009.04.040","article-title":"Development\nof Antioxidant Rich Peptides from Milk Protein by Microbial Proteases\nand Analysis of Their Effects on Lipid Peroxidation in Cooked Beef","volume":"117","author":"Hogan","year":"2009","journal-title":"Food Chem."},{"issue":"1","key":"2026101208075934400_cit31","doi-asserted-by":"publisher","DOI":"10.1111\/jfbc.12761","article-title":"Structural and Functional\nProperties of Food Protein-Derived\nAntioxidant Peptides","volume":"43","author":"Nwachukwu","year":"2019","journal-title":"J. Food Biochem."},{"issue":"1","key":"2026101208075934400_cit32","doi-asserted-by":"publisher","DOI":"10.3390\/biom15010088","article-title":"Peptides: Emerging\nCandidates for the Prevention and Treatment of Skin Senescence: A\nReview","volume":"15","author":"Pintea","year":"2025","journal-title":"Biomolecules"},{"issue":"3","key":"2026101208075934400_cit33","doi-asserted-by":"publisher","DOI":"10.1042\/BSR20181734","article-title":"A Short Peptide\nPotentially Promotes the Healing of Skin Wound","volume":"39","author":"Song","year":"2019","journal-title":"Biosci. Rep."},{"key":"2026101208075934400_cit34","doi-asserted-by":"publisher","DOI":"10.1177\/20417314241280359","article-title":"Discovery of Bioactive\nPeptides as Therapeutic Agents for Skin Wound Repair","volume":"15","author":"Md Fadilah","year":"2024","journal-title":"J. Tissue Eng."},{"issue":"1","key":"2026101208075934400_cit35","doi-asserted-by":"publisher","first-page":"109","DOI":"10.1111\/ced.14392","article-title":"Potentiating Cutaneous Wound Healing\nin Young and Aged Skin with Nutraceutical Collagen Peptides","volume":"46","author":"Mistry","year":"2021","journal-title":"Clin. Exp. Dermatol."},{"issue":"3","key":"2026101208075934400_cit36","doi-asserted-by":"publisher","first-page":"898","DOI":"10.1111\/jocd.16053","article-title":"The Application of\na Multi-component Reaction Peptide as a Model\nRegenerative Active to Enhance Skin Wound-healing Postlaser Procedure\nin a Double-blinded Placebo-controlled Clinical Trial","volume":"23","author":"Liao","year":"2024","journal-title":"J. Cosmet. Dermatol."},{"issue":"1","key":"2026101208075934400_cit37","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-024-73447-z","article-title":"Oral Administration\nof Cysteine Peptides Attenuates UV-B-Induced Skin Erythema and Pigmentation\nin Humans","volume":"14","author":"Sakuma","year":"2024","journal-title":"Sci. Rep."},{"key":"2026101208075934400_cit38","doi-asserted-by":"publisher","DOI":"10.3389\/fimmu.2021.613365","article-title":"Frog Skin\nDerived Peptides With Potential Protective\nEffects on Ultraviolet B\u2013Induced Cutaneous Photodamage","volume":"12","author":"Liu","year":"2021","journal-title":"Front. Immunol."},{"issue":"6","key":"2026101208075934400_cit39","doi-asserted-by":"publisher","DOI":"10.3390\/antiox14060674","article-title":"Harnessing Antioxidants\nin Cancer Therapy: Opportunities, Challenges,\nand Future Directions","volume":"14","author":"Liu","year":"2025","journal-title":"Antioxidants"},{"key":"2026101208075934400_cit40","doi-asserted-by":"publisher","DOI":"10.3389\/fchem.2017.00005","article-title":"Peptides\nwith Dual Antimicrobial and Anticancer Activities","volume":"5","author":"Feli\u0301cio","year":"2017","journal-title":"Front. Chem."},{"key":"2026101208075934400_cit41","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2022.214897","article-title":"Redox Regulation\nand Its Emerging Roles in Cancer Treatment","volume":"475","author":"Zhang","year":"2023","journal-title":"Coord. Chem. Rev."},{"key":"2026101208075934400_cit42","doi-asserted-by":"publisher","DOI":"10.3389\/fcell.2023.1048177","article-title":"Current Perspectives\nof Mitochondria-Targeted\nAntioxidants in Cancer Prevention and Treatment","volume":"11","author":"Zinovkin","year":"2023","journal-title":"Front. Cell Dev. Biol."},{"key":"2026101208075934400_cit43","doi-asserted-by":"publisher","DOI":"10.3389\/fonc.2022.819563","article-title":"Clinical Applications\nand Anticancer Effects of Antimicrobial Peptides: From Bench to Bedside","volume":"12","author":"Jafari","year":"2022","journal-title":"Front. Oncol."},{"key":"2026101208075934400_cit44","doi-asserted-by":"publisher","first-page":"301","DOI":"10.1016\/j.jff.2015.03.045","article-title":"Antioxidant\nand Anticancer Peptides from the Protein Hydrolysate of Blood Clam\n(Tegillarca Granosa) Muscle","volume":"15","author":"Chi","year":"2015","journal-title":"J. Funct. Foods"},{"issue":"43","key":"2026101208075934400_cit45","doi-asserted-by":"publisher","first-page":"25746","DOI":"10.1039\/D0RA03261A","article-title":"The Antioxidant\nPotential of Peptides Obtained from the Spotted Babylon Snail (Babylonia Areolata) in Treating Human Colon Adenocarcinoma\n(Caco-2) Cells","volume":"10","author":"Petsantad","year":"2020","journal-title":"RSC Adv."},{"issue":"7","key":"2026101208075934400_cit46","doi-asserted-by":"publisher","DOI":"10.1098\/rsob.200004","article-title":"Anti-Cancer\nPeptides: Classification, Mechanism of\nAction, Reconstruction and Modification","volume":"10","author":"Xie","year":"2020","journal-title":"Open\nBiol."},{"issue":"29","key":"2026101208075934400_cit47","doi-asserted-by":"publisher","first-page":"25760","DOI":"10.1021\/acsomega.2c03062","article-title":"Comprehensive\nEvaluation and Comparison\nof Machine Learning Methods in QSAR Modeling of Antioxidant Tripeptides","volume":"7","author":"Du","year":"2022","journal-title":"ACS Omega"},{"issue":"12","key":"2026101208075934400_cit48","doi-asserted-by":"publisher","DOI":"10.3390\/foods14122014","article-title":"AOPxSVM: A\nSupport Vector Machine\nfor Identifying Antioxidant Peptides Using a Block Substitution Matrix\nand Amino Acid Composition, Transformation, and Distribution Embeddings","volume":"14","author":"Li","year":"2025","journal-title":"Foods"},{"key":"2026101208075934400_cit49","doi-asserted-by":"publisher","first-page":"29","DOI":"10.1016\/j.jtbi.2012.10.029","article-title":"Characterization of Structure\u2013Antioxidant Activity Relationship\nof Peptides in Free Radical Systems Using QSAR Models: Key Sequence\nPositions and Their Amino Acid Properties","volume":"318","author":"Li","year":"2013","journal-title":"J.\nTheor. Biol."},{"key":"2026101208075934400_cit50","doi-asserted-by":"publisher","DOI":"10.1016\/j.foodcont.2021.108439","article-title":"Development of a Machine Learning-Based Predictor for Identifying\nand Discovering Antioxidant Peptides Based on a New Strategy","volume":"131","author":"Shen","year":"2022","journal-title":"Food Control"},{"issue":"2","key":"2026101208075934400_cit51","doi-asserted-by":"publisher","first-page":"603","DOI":"10.1021\/acs.jcim.4c01713","article-title":"High-Accuracy Identification and\nStructure\u2013Activity Analysis of Antioxidant Peptides via Deep\nLearning and Quantum Chemistry","volume":"65","author":"Li","year":"2025","journal-title":"J. Chem. Inf.\nModel."},{"key":"2026101208075934400_cit52","doi-asserted-by":"publisher","DOI":"10.1016\/j.compbiomed.2023.106591","article-title":"Prediction of Antioxidant Peptides Using a Quantitative Structure\u2013activity\nRelationship Predictor (AnOxPP) Based on Bidirectional Long Short-Term\nMemory Neural Network and Interpretable Amino Acid Descriptors","volume":"154","author":"Qin","year":"2023","journal-title":"Comput. Biol. Med."},{"issue":"1","key":"2026101208075934400_cit53","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-020-78319-w","article-title":"AnOxPePred: Using Deep Learning for\nthe Prediction of Antioxidative Properties of Peptides","volume":"10","author":"Olsen","year":"2020","journal-title":"Sci. Rep."},{"issue":"11","key":"2026101208075934400_cit54","doi-asserted-by":"publisher","DOI":"10.1002\/advs.202206151","article-title":"Explainable Deep Hypergraph\nLearning Modeling the Peptide\nSecondary Structure Prediction","volume":"10","author":"Jiang","year":"2023","journal-title":"Adv. Sci."},{"key":"2026101208075934400_cit55","doi-asserted-by":"publisher","DOI":"10.3389\/fcell.2020.591487","article-title":"Identifying Antioxidant\nProteins by Using Amino Acid Composition and Protein-Protein Interactions","volume":"8","author":"Zhai","year":"2020","journal-title":"Front. Cell Dev. Biol."},{"issue":"6","key":"2026101208075934400_cit56","doi-asserted-by":"publisher","first-page":"454","DOI":"10.1002\/psc.1345","article-title":"Structure\u2013Activity Relationship\nStudy of Antioxidative Peptides by QSAR Modeling: The Amino Acid next\nto C -terminus Affects the Activity","volume":"17","author":"Li","year":"2011","journal-title":"J. Pept. Sci."},{"key":"2026101208075934400_cit57","doi-asserted-by":"publisher","DOI":"10.1016\/j.foodres.2025.117316","article-title":"Machine Learning-Driven\nScreening of Antioxidant Peptides from Macadamia Nuts: In Vitro Experimental\nValidation and Mechanistic Insights","volume":"221","author":"Jiang","year":"2025","journal-title":"Food Res.\nInt."},{"issue":"9","key":"2026101208075934400_cit58","doi-asserted-by":"publisher","first-page":"4740","DOI":"10.1021\/acs.jcim.5c00444","article-title":"NeuroPred-AIMP: Multimodal Deep Learning\nfor Neuropeptide Prediction\nvia Protein Language Modeling and Temporal Convolutional Networks","volume":"65","author":"Li","year":"2025","journal-title":"J. Chem. Inf. Model."},{"issue":"1","key":"2026101208075934400_cit59","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-023-40922-y","article-title":"A Separable Temporal\nConvolutional Networks Based Deep\nLearning Technique for Discovering Antiviral Medicines","volume":"13","author":"Singh","year":"2023","journal-title":"Sci. Rep."},{"key":"2026101208075934400_cit60","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1016\/j.omtn.2019.04.025","article-title":"ACP-DL: A Deep Learning Long Short-Term\nMemory Model to Predict Anticancer Peptides Using High-Efficiency\nFeature Representation","volume":"17","author":"Yi","year":"2019","journal-title":"Mol. Ther. Nucleic Acids"},{"key":"2026101208075934400_cit61","doi-asserted-by":"crossref","unstructured":"Ribeiro, M. T.; Singh, S.; Guestrin, C.\n          Anchors:\nHigh-Precision\nModel-Agnostic Explanations, Proceedings of the AAAI Conference\non Artificial Intelligence. Vol. 321; 201810.1609\/aaai.v32i1.11491.","DOI":"10.1609\/aaai.v32i1.11491"},{"key":"2026101208075934400_cit62","unstructured":"Ribeiro, M. T.; Singh, S.; Guestrin, C.\n          \u201cWhy Should\nI Trust You?\u201d: Explaining the Predictions of Any Classifier\n          2016, arXiv:1602.04938. arXiv.org e-Print archive. https:\/\/arxiv.org\/abs\/1602.04938 (accessed Dec 27, 2023)."},{"issue":"3","key":"2026101208075934400_cit63","doi-asserted-by":"publisher","first-page":"647","DOI":"10.1007\/s10115-013-0679-x","article-title":"Explaining Prediction Models and Individual Predictions\nwith Feature Contributions","volume":"41","author":"S\u030ctrumbelj","year":"2014","journal-title":"Knowl. Inf. Syst."},{"issue":"D1","key":"2026101208075934400_cit64","doi-asserted-by":"publisher","first-page":"D363","DOI":"10.1093\/nar\/gkaf860","article-title":"APD6: The Antimicrobial\nPeptide Database Is Expanded to Promote Research and Development by\nDeploying an Unprecedented Information Pipeline","volume":"54","author":"Wang","year":"2026","journal-title":"Nucleic Acids Res."},{"issue":"6637","key":"2026101208075934400_cit65","doi-asserted-by":"publisher","first-page":"1123","DOI":"10.1126\/science.ade2574","article-title":"Evolutionary-Scale\nPrediction of Atomic-Level Protein Structure with\na Language Model","volume":"379","author":"Lin","year":"2023","journal-title":"Science (1979)."},{"key":"2026101208075934400_cit66","doi-asserted-by":"crossref","unstructured":"Hie, B.; Candido, S.; Lin, Z.; Kabeli, O.; Rao, R.; Smetanin, N.; Sercu, T.; Rives, A.\n          A High-Level Programming Language\nfor Generative\nProtein Design. 202210.1101\/2022.12.21.521526.","DOI":"10.1101\/2022.12.21.521526"},{"issue":"15","key":"2026101208075934400_cit67","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2016239118","article-title":"Biological Structure\nand Function Emerge from Scaling\nUnsupervised Learning to 250 Million Protein Sequences","volume":"118","author":"Rives","year":"2021","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"2026101208075934400_cit68","doi-asserted-by":"crossref","unstructured":"Verkuil, R.; Kabeli, O.; Du, Y.; Wicky, B. I. M.; Milles, L. F.; Dauparas, J.; Baker, D.; Ovchinnikov, S.; Sercu, T.; Rives, A.\n          Language Models Generalize beyond Natural Proteins. 202210.1101\/2022.12.21.521521.","DOI":"10.1101\/2022.12.21.521521"},{"key":"2026101208075934400_cit69","doi-asserted-by":"publisher","DOI":"10.1093\/database\/baae113","article-title":"Peptipedia\nv2.0: a peptide sequence\ndatabase and user-friendly web platform. A major update","volume":"2024","author":"Cabas-Mora","year":"2024","journal-title":"Database"}],"container-title":["Journal of Chemical Information\nand Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6c01872","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/jcisd8\/article-pdf\/66\/19\/12430\/68543104\/acs.jcim.6c01872.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.acs.org\/jcisd8\/article-pdf\/66\/19\/12430\/68543104\/acs.jcim.6c01872.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,12]],"date-time":"2026-10-12T12:30:05Z","timestamp":1791808205000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/jcisd8\/article\/66\/19\/12430\/5431954\/Explainable-Artificial-Intelligence-to-Unveil"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,9,17]]},"references-count":69,"journal-issue":{"issue":"19","published-online":{"date-parts":[[2026,9,17]]},"published-print":{"date-parts":[[2026,10,12]]}},"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.6c01872","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,9,17]]}}}