{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,24]],"date-time":"2026-09-24T01:08:15Z","timestamp":1790212095324,"version":"4.1.0"},"reference-count":51,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T00:00:00Z","timestamp":1790812800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T00:00:00Z","timestamp":1790812800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,9,4]],"date-time":"2026-09-04T00:00:00Z","timestamp":1788480000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"funder":[{"DOI":"10.13039\/100023581","name":"National Science Foundation Graduate Research Fellowship Program","doi-asserted-by":"publisher","award":["DGE2129754"],"award-info":[{"award-number":["DGE2129754"]}],"id":[{"id":"10.13039\/100023581","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["5R35GM151255"],"award-info":[{"award-number":["5R35GM151255"]}],"id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["ECCS-2025064"],"award-info":[{"award-number":["ECCS-2025064"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Journal of Controlled Release"],"published-print":{"date-parts":[[2026,10]]},"DOI":"10.1016\/j.jconrel.2026.115226","type":"journal-article","created":{"date-parts":[[2026,7,31]],"date-time":"2026-07-31T15:41:02Z","timestamp":1785512462000},"page":"115226","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"special_numbering":"C","title":["Fine-tuned machine learning models for the discovery of dye nanoparticles with enhanced lung delivery"],"prefix":"10.1016","volume":"398","author":[{"given":"Lauren A.","family":"Onweller","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rebeca T.","family":"Stiepel","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"George A.","family":"Cortina","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"suffix":"Jr.","given":"Joseph R.","family":"Laforet","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ivan","family":"Spasojevic","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ping","family":"Fan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Daniel","family":"Reker","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.jconrel.2026.115226_bb0005","doi-asserted-by":"crossref","DOI":"10.1016\/j.addr.2023.114724","article-title":"Recent advances in long-acting drug delivery systems for anticancer drug","volume":"194","author":"Pacheco","year":"2023","journal-title":"Adv. Drug Deliv. Rev."},{"issue":"3","key":"10.1016\/j.jconrel.2026.115226_bb0010","doi-asserted-by":"crossref","DOI":"10.1002\/btm2.10246","article-title":"Nanoparticles in the clinic: an update post COVID-19 vaccines","volume":"6","author":"Anselmo","year":"2021","journal-title":"Bioeng. Transl. Med."},{"issue":"2","key":"10.1016\/j.jconrel.2026.115226_bb0015","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1038\/s41573-020-0090-8","article-title":"Engineering precision nanoparticles for drug delivery","volume":"20","author":"Mitchell","year":"2021","journal-title":"Nat. Rev. Drug Discov."},{"key":"10.1016\/j.jconrel.2026.115226_bb0020","doi-asserted-by":"crossref","DOI":"10.1016\/j.addr.2021.113994","article-title":"Delivering more for less: nanosized, minimal-carrier and pharmacoactive drug delivery systems","volume":"179","author":"Etter","year":"2021","journal-title":"Adv. Drug Deliv. Rev."},{"issue":"3","key":"10.1016\/j.jconrel.2026.115226_bb0025","doi-asserted-by":"crossref","first-page":"214","DOI":"10.1038\/s44222-023-00138-1","article-title":"Controlling the biodistribution and clearance of nanomedicines","volume":"2","author":"Cabral","year":"2024","journal-title":"Nat. Rev. Bioeng."},{"issue":"1","key":"10.1016\/j.jconrel.2026.115226_bb0030","doi-asserted-by":"crossref","first-page":"8340","DOI":"10.1038\/s41467-023-43560-0","article-title":"Fragment-based drug nanoaggregation reveals drivers of self-assembly","volume":"14","author":"Chen","year":"2023","journal-title":"Nat. Commun."},{"key":"10.1016\/j.jconrel.2026.115226_bb0035","doi-asserted-by":"crossref","DOI":"10.1016\/j.addr.2025.115758","article-title":"Exploiting colloidal drug aggregation for drug delivery: from promise to prediction using computational tools","volume":"229","author":"Slaughter","year":"2026","journal-title":"Adv. Drug Deliv. Rev."},{"issue":"6","key":"10.1016\/j.jconrel.2026.115226_bb0040","doi-asserted-by":"crossref","first-page":"725","DOI":"10.1038\/s41565-021-00870-y","article-title":"Computationally guided high-throughput design of self-assembling drug nanoparticles","volume":"16","author":"Reker","year":"2021","journal-title":"Nat. Nanotechnol."},{"issue":"2","key":"10.1016\/j.jconrel.2026.115226_bb0045","doi-asserted-by":"crossref","first-page":"201","DOI":"10.1023\/B:PHAM.0000016235.32639.23","article-title":"Solubilizing excipients in oral and injectable formulations","volume":"21","author":"Strickley","year":"2004","journal-title":"Pharm. Res."},{"key":"10.1016\/j.jconrel.2026.115226_bb0050","doi-asserted-by":"crossref","DOI":"10.1016\/j.biomaterials.2022.121800","article-title":"Automated discovery of nanomaterials via drug aggregation induced emission","volume":"289","author":"Harris","year":"2022","journal-title":"Biomaterials"},{"issue":"3","key":"10.1016\/j.jconrel.2026.115226_bb0055","doi-asserted-by":"crossref","first-page":"201","DOI":"10.1016\/0165-1110(92)90044-A","article-title":"Mutagenicity of azo dyes: structure-activity relationships","volume":"277","author":"Chung","year":"1992","journal-title":"Mutat. Res."},{"issue":"483","key":"10.1016\/j.jconrel.2026.115226_bb0060","doi-asserted-by":"crossref","DOI":"10.1126\/scitranslmed.aau6753","article-title":"\u201cinactive\u201d ingredients in oral medications","volume":"11","author":"Reker","year":"2019","journal-title":"Sci. Transl. Med."},{"issue":"4","key":"10.1016\/j.jconrel.2026.115226_bb0065","doi-asserted-by":"crossref","first-page":"992","DOI":"10.1021\/acschembio.5b00806","article-title":"Stable colloidal drug aggregates catch and release active enzymes","volume":"11","author":"McLaughlin","year":"2016","journal-title":"ACS Chem. Biol."},{"issue":"37","key":"10.1016\/j.jconrel.2026.115226_bb0070","doi-asserted-by":"crossref","first-page":"33288","DOI":"10.1021\/acsnano.5c09066","article-title":"TuNa-AI: a hybrid kernel machine to design tunable nanoparticles for drug delivery","volume":"19","author":"Zhang","year":"2025","journal-title":"ACS Nano"},{"issue":"4","key":"10.1016\/j.jconrel.2026.115226_bb0075","doi-asserted-by":"crossref","first-page":"361","DOI":"10.1038\/s41563-017-0007-z","article-title":"Quantitative self-assembly prediction yields targeted nanomedicines","volume":"17","author":"Shamay","year":"2018","journal-title":"Nat. Mater."},{"key":"10.1016\/j.jconrel.2026.115226_bb0080","doi-asserted-by":"crossref","first-page":"418","DOI":"10.1016\/j.jconrel.2023.06.040","article-title":"Prediction of cancer nanomedicines self-assembled from meta-synergistic drug pairs","volume":"360","author":"Azagury","year":"2023","journal-title":"J. Control. Release"},{"issue":"8","key":"10.1016\/j.jconrel.2026.115226_bb0085","doi-asserted-by":"crossref","first-page":"1429","DOI":"10.1021\/cb300189b","article-title":"Colloidal aggregation affects the efficacy of anticancer drugs in cell culture","volume":"7","author":"Owen","year":"2012","journal-title":"ACS Chem. Biol."},{"issue":"10","key":"10.1016\/j.jconrel.2026.115226_bb0090","doi-asserted-by":"crossref","first-page":"3458","DOI":"10.1021\/ja513034e","article-title":"Dimeric drug polymeric nanoparticles with exceptionally high drug loading and quantitative loading efficiency","volume":"137","author":"Cai","year":"2015","journal-title":"J. Am. Chem. Soc."},{"issue":"33","key":"10.1016\/j.jconrel.2026.115226_bb0095","doi-asserted-by":"crossref","first-page":"8424","DOI":"10.1016\/j.biomaterials.2013.07.038","article-title":"Nanoparticle drug loading as a design parameter to improve docetaxel pharmacokinetics and efficacy","volume":"34","author":"Chu","year":"2013","journal-title":"Biomaterials"},{"issue":"3","key":"10.1016\/j.jconrel.2026.115226_bb0100","doi-asserted-by":"crossref","first-page":"361","DOI":"10.1002\/ijc.2910210318","article-title":"In vitro and in vivo indications of the carcinogenicity and toxicity of food dyes","volume":"21","author":"Price","year":"1978","journal-title":"Int. J. Cancer"},{"key":"10.1016\/j.jconrel.2026.115226_bb0105","series-title":"Colour Additives for Foods and Beverages","first-page":"35","article-title":"2 - food colour additives of synthetic origin","author":"K\u00f6nig","year":"2015"},{"issue":"1","key":"10.1016\/j.jconrel.2026.115226_bb0110","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1016\/0015-6264(80)90003-6","article-title":"The metabolic disposition of 14C-labelled green S and brilliant blue FCF in the rat, mouse and guinea-pig","volume":"18","author":"Phillips","year":"1980","journal-title":"Food Cosmet. Toxicol."},{"issue":"4","key":"10.1016\/j.jconrel.2026.115226_bb0115","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1016\/0278-6915(90)90034-K","article-title":"Lifetime toxicity\/carcinogenicity studies of FD & C blue No. 1 (brilliant blue FCF) in rats and mice","volume":"28","author":"Borzelleca","year":"1990","journal-title":"Food Chem. Toxicol."},{"issue":"6","key":"10.1016\/j.jconrel.2026.115226_bb0120","doi-asserted-by":"crossref","first-page":"515","DOI":"10.1016\/0278-6915(95)00010-Y","article-title":"The safety and regulatory status of food, drug and cosmetics colour additives exempt from certification","volume":"33","author":"Hallagan","year":"1995","journal-title":"Food Chem. Toxicol."},{"issue":"8","key":"10.1016\/j.jconrel.2026.115226_bb0135","doi-asserted-by":"crossref","first-page":"1142","DOI":"10.1136\/bjo.2008.138164","article-title":"An in vivo evaluation of Brilliant Blue G in animals and humans","volume":"92","author":"Remy","year":"2008","journal-title":"Br. J. Ophthalmol."},{"issue":"1","key":"10.1016\/j.jconrel.2026.115226_bb0140","doi-asserted-by":"crossref","first-page":"1960","DOI":"10.1038\/s41598-024-84355-7","article-title":"Versatile application of fast green FCF as a visible cholangiogram in adult mice to medium-sized mammals","volume":"15","author":"Niimi","year":"2025","journal-title":"Sci. Rep."},{"issue":"MAY","key":"10.1016\/j.jconrel.2026.115226_bb0145","article-title":"Fast Green FCF alleviates pain hypersensitivity and down-regulates the levels of spinal P2X4 expression and pro-inflammatory cytokines in a rodent inflammatory pain model","volume":"9","author":"Xu","year":"2018","journal-title":"Front. Pharmacol."},{"issue":"1\u20132","key":"10.1016\/j.jconrel.2026.115226_bb0150","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1016\/0165-1218(83)90157-X","article-title":"Conversion of Congo red and 2-azoxyfluorene to mutagens following in vitro reduction by whole-cell rat cecal bacteria","volume":"117","author":"Reid","year":"1983","journal-title":"Mutat. Res."},{"issue":"15","key":"10.1016\/j.jconrel.2026.115226_bb0155","doi-asserted-by":"crossref","DOI":"10.1002\/adma.202417534","article-title":"A library of polyphenol-amino acid condensates for high-throughput continuous flow production of nanomedicines with ultra-high drug loading","volume":"37","author":"Yi","year":"2025","journal-title":"Adv. Mater."},{"issue":"14","key":"10.1016\/j.jconrel.2026.115226_bb0160","doi-asserted-by":"crossref","first-page":"12195","DOI":"10.1021\/acsami.6b15987","article-title":"A new spin on antibody\u2013drug conjugates: trastuzumab-fulvestrant colloidal drug aggregates target HER2-positive cells","volume":"9","author":"Ganesh","year":"2017","journal-title":"ACS Appl. Mater. Interfaces"},{"issue":"9","key":"10.1016\/j.jconrel.2026.115226_bb0165","doi-asserted-by":"crossref","first-page":"8838","DOI":"10.1021\/acsnano.7b03003","article-title":"Transformative nanomedicine of an amphiphilic camptothecin prodrug for long circulation and high tumor uptake in cancer therapy","volume":"11","author":"Zhang","year":"2017","journal-title":"ACS Nano"},{"issue":"47","key":"10.1016\/j.jconrel.2026.115226_bb0170","doi-asserted-by":"crossref","first-page":"43996","DOI":"10.1021\/acsami.9b18086","article-title":"Self-assembled and self-monitored sorafenib\/indocyanine green nanodrug with synergistic antitumor activity mediated by hyperthermia and reactive oxygen species-induced apoptosis","volume":"11","author":"Wu","year":"2019","journal-title":"ACS Appl. Mater. Interfaces"},{"key":"10.1016\/j.jconrel.2026.115226_bb0175","doi-asserted-by":"crossref","DOI":"10.1016\/j.cattod.2022.08.004","article-title":"Zeta potential as a tool for functional materials development","volume":"423","author":"Serrano-Lotina","year":"2023","journal-title":"Catal. Today"},{"key":"10.1016\/j.jconrel.2026.115226_bb0180","series-title":"Inhibitors Approved for Clinical Use","year":"2026"},{"key":"10.1016\/j.jconrel.2026.115226_bb0185","doi-asserted-by":"crossref","first-page":"627574","DOI":"10.3389\/fphar.2021.627574","article-title":"An open access database of licensed cancer drugs","volume":"12","author":"Pantziarka","year":"2021","journal-title":"Front. Pharmacol."},{"issue":"2","key":"10.1016\/j.jconrel.2026.115226_bb0190","doi-asserted-by":"crossref","first-page":"202","DOI":"10.1038\/nm.3048","article-title":"ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets","volume":"19","author":"Souers","year":"2013","journal-title":"Nat. Med."},{"issue":"1","key":"10.1016\/j.jconrel.2026.115226_bb0195","doi-asserted-by":"crossref","first-page":"196","DOI":"10.1002\/med.20140","article-title":"Nanoparticle formulations in pulmonary drug delivery","volume":"29","author":"Bailey","year":"2009","journal-title":"Med. Res. Rev."},{"issue":"13","key":"10.1016\/j.jconrel.2026.115226_bb0200","article-title":"Synthetic ionizable colloidal drug aggregates enable endosomal disruption","volume":"10","author":"Donders","year":"2023","journal-title":"Adv. Sci. (Weinh.)"},{"issue":"6","key":"10.1016\/j.jconrel.2026.115226_bb0205","doi-asserted-by":"crossref","first-page":"1852","DOI":"10.1021\/acs.molpharmaceut.6b01015","article-title":"Leveraging colloidal aggregation for drug-rich nanoparticle formulations","volume":"14","author":"Ganesh","year":"2017","journal-title":"Mol. Pharm."},{"issue":"21","key":"10.1016\/j.jconrel.2026.115226_bb0210","doi-asserted-by":"crossref","DOI":"10.1002\/advs.202415684","article-title":"IR783-stabilized nanodrugs enhance anticancer immune response by synergizing oxidation therapy and epigenetic modulation","volume":"12","author":"Liu","year":"2025","journal-title":"Adv. Sci."},{"issue":"40","key":"10.1016\/j.jconrel.2026.115226_bb0215","doi-asserted-by":"crossref","first-page":"46721","DOI":"10.1021\/acsami.3c11561","article-title":"Albumin nanoparticles surface decorated with a tumor-homing peptide help in selective killing of triple-negative breast cancer cells","volume":"15","author":"Pal","year":"2023","journal-title":"ACS Appl. Mater. Interfaces"},{"issue":"21","key":"10.1016\/j.jconrel.2026.115226_bb0220","doi-asserted-by":"crossref","first-page":"5925","DOI":"10.1158\/0008-5472.CAN-17-0604","article-title":"Caveolae-mediated endocytosis is critical for albumin cellular uptake and response to albumin-bound chemotherapy","volume":"77","author":"Chatterjee","year":"2017","journal-title":"Cancer Res."},{"issue":"8","key":"10.1016\/j.jconrel.2026.115226_bb0225","doi-asserted-by":"crossref","first-page":"2942","DOI":"10.1073\/pnas.1322356111","article-title":"Differential uptake of nanoparticles by endothelial cells through polyelectrolytes with affinity for caveolae","volume":"111","author":"Voigt","year":"2014","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"issue":"12","key":"10.1016\/j.jconrel.2026.115226_bb0230","doi-asserted-by":"crossref","DOI":"10.3390\/pharmaceutics16121584","article-title":"Nanomedicines for pulmonary drug delivery: overcoming barriers in the treatment of respiratory infections and lung cancer","volume":"16","author":"Fern\u00e1ndez-Garc\u00eda","year":"2024","journal-title":"Pharmaceutics"},{"issue":"1","key":"10.1016\/j.jconrel.2026.115226_bb0235","doi-asserted-by":"crossref","first-page":"77","DOI":"10.1016\/j.cub.2020.09.082","article-title":"An acquired and endogenous glycocalyx forms a bidirectional \u201cdon\u2019t eat\u201d and \u201cdon\u2019t eat me\u201d barrier to phagocytosis","volume":"31","author":"Imbert","year":"2021","journal-title":"Curr. Biol."},{"key":"10.1016\/j.jconrel.2026.115226_bb0240","series-title":"An Open Access Database of Licensed Cancer Drugs","article-title":"et al","author":"Pantziarka","year":"2026"},{"issue":"D1","key":"10.1016\/j.jconrel.2026.115226_bb0245","doi-asserted-by":"crossref","first-page":"D1074","DOI":"10.1093\/nar\/gkx1037","article-title":"DrugBank 5.0: a major update to the DrugBank database for 2018","volume":"46","author":"Wishart","year":"2018","journal-title":"Nucleic Acids Res."},{"issue":"5","key":"10.1016\/j.jconrel.2026.115226_bb0250","doi-asserted-by":"crossref","first-page":"402","DOI":"10.1038\/s41557-019-0234-9","article-title":"Computational advances in combating colloidal aggregation in drug discovery","volume":"11","author":"Reker","year":"2019","journal-title":"Nat. Chem."},{"issue":"13","key":"10.1016\/j.jconrel.2026.115226_bb0255","doi-asserted-by":"crossref","first-page":"2157","DOI":"10.1002\/jcc.21224","article-title":"PACKMOL: a package for building initial configurations for molecular dynamics simulations","volume":"30","author":"Mart\u00ednez","year":"2009","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.jconrel.2026.115226_bb0260","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1016\/j.softx.2015.06.001","article-title":"GROMACS: high performance molecular simulations through multi-level parallelism from laptops to supercomputers","volume":"1-2","author":"Abraham","year":"2015","journal-title":"SoftwareX"},{"issue":"1","key":"10.1016\/j.jconrel.2026.115226_bb0265","doi-asserted-by":"crossref","first-page":"367","DOI":"10.1186\/1756-0500-5-367","article-title":"ACPYPE - AnteChamber PYthon parser interfacE","volume":"5","author":"Sousa da Silva","year":"2012","journal-title":"BMC. Res. Notes"}],"container-title":["Journal of Controlled Release"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0168365926006309?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0168365926006309?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,9,24]],"date-time":"2026-09-24T00:56:29Z","timestamp":1790211389000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0168365926006309"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,10]]},"references-count":51,"alternative-id":["S0168365926006309"],"URL":"https:\/\/doi.org\/10.1016\/j.jconrel.2026.115226","relation":{"has-preprint":[{"id-type":"doi","id":"10.26434\/chemrxiv.15003419\/v1","asserted-by":"object"}]},"ISSN":["0168-3659"],"issn-type":[{"value":"0168-3659","type":"print"}],"subject":[],"published":{"date-parts":[[2026,10]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Fine-tuned machine learning models for the discovery of dye nanoparticles with enhanced lung delivery","name":"articletitle","label":"Article Title"},{"value":"Journal of Controlled Release","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.jconrel.2026.115226","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2026 The Authors. Published by Elsevier B.V.","name":"copyright","label":"Copyright"}],"article-number":"115226"}}