{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,2]],"date-time":"2026-07-02T02:21:40Z","timestamp":1782958900984,"version":"3.54.5"},"reference-count":62,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2021,1,1]],"date-time":"2021-01-01T00:00:00Z","timestamp":1609459200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2021,1,1]],"date-time":"2021-01-01T00:00:00Z","timestamp":1609459200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2021,11,11]],"date-time":"2021-11-11T00:00:00Z","timestamp":1636588800000},"content-version":"vor","delay-in-days":314,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100004334","name":"Merck","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100004334","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100006752","name":"Universidade do Porto","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100006752","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Informatics in Medicine Unlocked"],"published-print":{"date-parts":[[2021]]},"DOI":"10.1016\/j.imu.2021.100787","type":"journal-article","created":{"date-parts":[[2021,11,15]],"date-time":"2021-11-15T12:03:59Z","timestamp":1636977839000},"page":"100787","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":7,"special_numbering":"C","title":["Discovery of new TLR7 agonists by a combination of statistical learning-based QSAR, virtual screening, and molecular dynamics"],"prefix":"10.1016","volume":"27","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3021-6147","authenticated-orcid":false,"given":"Ardavan","family":"Abiri","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Masoud","family":"Rezaei","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohammad Hossein","family":"Zeighami","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6840-7067","authenticated-orcid":false,"given":"Younes","family":"Vaezpour","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Leili","family":"Dehghan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Maedeh","family":"KhorramGhahfarokhi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.imu.2021.100787_bib1","series-title":"Immune biol. Allogeneic hematop. Stem cell transplant.","first-page":"293","article-title":"Cytokines in GVHD and GVL","author":"Markey","year":"2019"},{"key":"10.1016\/j.imu.2021.100787_bib2","doi-asserted-by":"crossref","first-page":"5204","DOI":"10.1038\/s41467-020-19025-z","article-title":"Structural analysis reveals TLR7 dynamics underlying antagonism","volume":"11","author":"Tojo","year":"2020","journal-title":"Nat Commun"},{"key":"10.1016\/j.imu.2021.100787_bib3","doi-asserted-by":"crossref","first-page":"1807","DOI":"10.3892\/mmr.2015.4730","article-title":"Activation of Toll-like receptor 7 regulates the expression of IFN-\u03bb1, p53, PTEN, VEGF, TIMP-1 and MMP-9 in pancreatic cancer cells","volume":"13","author":"Wang","year":"2016","journal-title":"Mol Med Rep"},{"key":"10.1016\/j.imu.2021.100787_bib4","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejmech.2020.112238","article-title":"Agonist and antagonist ligands of toll-like receptors 7 and 8: ingenious tools for therapeutic purposes","volume":"193","author":"Patinote","year":"2020","journal-title":"Eur J Med Chem"},{"key":"10.1016\/j.imu.2021.100787_bib5","doi-asserted-by":"crossref","DOI":"10.1128\/AAC.01369-16","article-title":"TLR7 agonist GS-9620 is a potent inhibitor of acute HIV-1 infection in human peripheral blood mononuclear cells","volume":"61","author":"Bam","year":"2017","journal-title":"Antimicrob Agents Chemother"},{"key":"10.1016\/j.imu.2021.100787_bib6","doi-asserted-by":"crossref","first-page":"751","DOI":"10.1093\/jac\/48.6.751","article-title":"Imiquimod and resiquimod as novel immunomodulators","volume":"48","author":"Dockrell","year":"2001","journal-title":"J Antimicrob Chemother"},{"key":"10.1016\/j.imu.2021.100787_bib7","series-title":"Vaccines cancer immunother.","first-page":"45","article-title":"Vaccines, adjuvants, and delivery systems","author":"Keshavarz-Fathi","year":"2019"},{"key":"10.1016\/j.imu.2021.100787_bib8","first-page":"661","article-title":"TLR7 activation of macrophages by imiquimod inhibits HIV infection through modulation of viral entry cellular factors","volume":"10","author":"Meng","year":"2021","journal-title":"Biology (Basel)"},{"key":"10.1016\/j.imu.2021.100787_bib9","doi-asserted-by":"crossref","first-page":"354","DOI":"10.4103\/0253-7613.161249","article-title":"Imiquimod - its role in the treatment of cutaneous malignancies","volume":"47","author":"Bubna","year":"2015","journal-title":"Indian J Pharmacol"},{"key":"10.1016\/j.imu.2021.100787_bib10","doi-asserted-by":"crossref","first-page":"5939","DOI":"10.1016\/j.bmcl.2011.07.076","article-title":"Discovery of a highly potent series of TLR7 agonists","volume":"21","author":"Jones","year":"2011","journal-title":"Bioorg Med Chem Lett"},{"key":"10.1016\/j.imu.2021.100787_bib11","doi-asserted-by":"crossref","first-page":"4450","DOI":"10.1021\/jm100358c","article-title":"Structure-activity relationships in human toll-like receptor 7-active imidazoquinoline analogues","volume":"53","author":"Shukla","year":"2010","journal-title":"J Med Chem"},{"key":"10.1016\/j.imu.2021.100787_bib12","doi-asserted-by":"crossref","DOI":"10.1016\/j.bmcl.2020.126984","article-title":"Optimization of 8-oxoadenines with toll-like-receptor 7 and 8 activity","volume":"30","author":"Bazin","year":"2020","journal-title":"Bioorg Med Chem Lett"},{"key":"10.1016\/j.imu.2021.100787_bib13","doi-asserted-by":"crossref","first-page":"D1045","DOI":"10.1093\/nar\/gkv1072","article-title":"BindingDB in 2015: a public database for medicinal chemistry, computational chemistry and systems pharmacology","volume":"44","author":"Gilson","year":"2016","journal-title":"Nucleic Acids Res"},{"key":"10.1016\/j.imu.2021.100787_bib14","doi-asserted-by":"crossref","DOI":"10.3389\/fphar.2017.00304","article-title":"Anti-tumor activity of toll-like receptor 7 agonists","volume":"8","author":"Chi","year":"2017","journal-title":"Front Pharmacol"},{"key":"10.1016\/j.imu.2021.100787_bib15","doi-asserted-by":"crossref","first-page":"6668","DOI":"10.1158\/1078-0432.CCR-12-0984","article-title":"Synergy of topical toll-like receptor 7 agonist with radiation and low-dose cyclophosphamide in a mouse model of cutaneous breast cancer","volume":"18","author":"Dewan","year":"2012","journal-title":"Clin Cancer Res"},{"key":"10.1016\/j.imu.2021.100787_bib16","doi-asserted-by":"crossref","first-page":"13301","DOI":"10.18632\/oncotarget.24327","article-title":"Systemic administration of a TLR7 agonist attenuates regulatory T cells by dendritic cell modification and overcomes resistance to PD-L1 blockade therapy","volume":"9","author":"Nishii","year":"2018","journal-title":"Oncotarget"},{"key":"10.1016\/j.imu.2021.100787_bib17","doi-asserted-by":"crossref","first-page":"27","DOI":"10.1016\/j.ijrobp.2020.04.020","article-title":"Toll-like receptor agonists and radiation therapy combinations: an untapped opportunity to induce anticancer immunity and improve tumor control","volume":"108","author":"Walshaw","year":"2020","journal-title":"Int J Radiat Oncol Biol Phys"},{"key":"10.1016\/j.imu.2021.100787_bib18","doi-asserted-by":"crossref","first-page":"587","DOI":"10.1038\/ni.1733","article-title":"Bacterial recognition by TLR7 in the lysosomes of conventional dendritic cells","volume":"10","author":"Mancuso","year":"2009","journal-title":"Nat Immunol"},{"key":"10.1016\/j.imu.2021.100787_bib19","doi-asserted-by":"crossref","first-page":"3216","DOI":"10.1016\/j.bmcl.2018.08.015","article-title":"Design and synthesis of tetrahydropyridopyrimidine based Toll-Like Receptor (TLR) 7\/8 dual agonists","volume":"28","author":"McGowan","year":"2018","journal-title":"Bioorg Med Chem Lett"},{"key":"10.1016\/j.imu.2021.100787_bib20","doi-asserted-by":"crossref","first-page":"2389","DOI":"10.1016\/j.bmcl.2011.02.092","article-title":"Design and optimisation of orally active TLR7 agonists for the treatment of hepatitis C virus infection","volume":"21","author":"Tran","year":"2011","journal-title":"Bioorg Med Chem Lett"},{"key":"10.1016\/j.imu.2021.100787_bib21","doi-asserted-by":"crossref","first-page":"711","DOI":"10.1016\/j.bmcl.2018.01.014","article-title":"Discovery of selective 2,4-diaminoquinazoline toll-like receptor 7 (TLR 7) agonists","volume":"28","author":"Pieters","year":"2018","journal-title":"Bioorg Med Chem Lett"},{"key":"10.1016\/j.imu.2021.100787_bib22","doi-asserted-by":"crossref","first-page":"1148","DOI":"10.1021\/acsmedchemlett.7b00256","article-title":"Design and synthesis of N1-modified imidazoquinoline agonists for selective activation of toll-like receptors 7 and 8","volume":"8","author":"Larson","year":"2017","journal-title":"ACS Med Chem Lett"},{"key":"10.1016\/j.imu.2021.100787_bib23","doi-asserted-by":"crossref","first-page":"339","DOI":"10.1021\/jm4004957","article-title":"Structure-activity relationship analysis of imidazoquinolines with toll-like receptors 7 and 8 selectivity and enhanced cytokine induction","volume":"57","author":"Schiaffo","year":"2014","journal-title":"J Med Chem"},{"key":"10.1016\/j.imu.2021.100787_bib24","doi-asserted-by":"crossref","first-page":"501","DOI":"10.1021\/ml300079e","article-title":"Discovery of imidazoquinolines with toll-like receptor 7\/8 independent cytokine induction","volume":"3","author":"Shi","year":"2012","journal-title":"ACS Med Chem Lett"},{"key":"10.1016\/j.imu.2021.100787_bib25","doi-asserted-by":"crossref","first-page":"6236","DOI":"10.1021\/acs.jmedchem.8b00643","article-title":"2,4-Diaminoquinazolines as dual toll-like receptor (TLR) 7\/8 modulators for the treatment of hepatitis B virus","volume":"61","author":"Embrechts","year":"2018","journal-title":"J Med Chem"},{"key":"10.1016\/j.imu.2021.100787_bib26","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pone.0134640","article-title":"The imidazoquinoline toll-like receptor-7\/8 agonist hybrid-2 potently induces cytokine production by human newborn and adult leukocytes","volume":"10","author":"Ganapathi","year":"2015","journal-title":"PLoS One"},{"key":"10.1016\/j.imu.2021.100787_bib27","doi-asserted-by":"crossref","first-page":"7936","DOI":"10.1021\/acs.jmedchem.6b00747","article-title":"Novel pyrimidine toll-like receptor 7 and 8 dual agonists to treat hepatitis B virus","volume":"59","author":"McGowan","year":"2016","journal-title":"J Med Chem"},{"key":"10.1016\/j.imu.2021.100787_bib28","first-page":"190","article-title":"Goodness-of-Fit testing","author":"Maydeu-Olivares","year":"2010"},{"key":"10.1016\/j.imu.2021.100787_bib29","doi-asserted-by":"crossref","DOI":"10.1007\/s11306-019-1612-4","article-title":"A comparative evaluation of the generalised predictive ability of eight machine learning algorithms across ten clinical metabolomics data sets for binary classification","volume":"15","author":"Mendez","year":"2019","journal-title":"Metabolomics"},{"key":"10.1016\/j.imu.2021.100787_bib30","doi-asserted-by":"crossref","first-page":"6177","DOI":"10.1021\/jm051256o","article-title":"Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes","volume":"49","author":"Friesner","year":"2006","journal-title":"J Med Chem"},{"key":"10.1016\/j.imu.2021.100787_bib31","doi-asserted-by":"crossref","first-page":"1750","DOI":"10.1021\/jm030644s","article-title":"Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening","volume":"47","author":"Halgren","year":"2004","journal-title":"J Med Chem"},{"key":"10.1016\/j.imu.2021.100787_bib32","doi-asserted-by":"crossref","first-page":"737","DOI":"10.1016\/j.immuni.2016.09.011","article-title":"Structural analysis reveals that toll-like receptor 7 is a dual receptor for guanosine and single-stranded RNA","volume":"45","author":"Zhang","year":"2016","journal-title":"Immunity"},{"key":"10.1016\/j.imu.2021.100787_bib33","doi-asserted-by":"crossref","first-page":"19855","DOI":"10.1038\/s41598-019-56463-2","article-title":"Phenoxyethyl piperidine\/morpholine derivatives as PAS and CAS inhibitors of cholinesterases: insights for future drug design","volume":"9","author":"Pourshojaei","year":"2019","journal-title":"Sci Rep"},{"key":"10.1016\/j.imu.2021.100787_bib34","article-title":"Phlorotannins as HIV Vpu inhibitors, an in silico virtual screening study of marine naxtural products","volume":"2014","author":"Langarizadeh","year":"2020","journal-title":"Biotechnol Appl Biochem"},{"key":"10.1016\/j.imu.2021.100787_bib35","first-page":"43","article-title":"Scalable algorithms for molecular dynamics simulations on commodity cluster","author":"Bowers","year":"2006","journal-title":"Proc. ACM\/IEEE Conf. Supercomput."},{"key":"10.1016\/j.imu.2021.100787_bib36","series-title":"2015.10; chemical computing group ULC, 1010 sherbooke st. West, suite #910","first-page":"2018","year":"2015"},{"key":"10.1016\/j.imu.2021.100787_bib37","doi-asserted-by":"crossref","first-page":"4358","DOI":"10.3390\/molecules24234358","article-title":"A comprehensive QSAR study on antileishmanial and antitrypanosomal cinnamate ester analogues","volume":"24","author":"Bernal","year":"2019","journal-title":"Molecules"},{"key":"10.1016\/j.imu.2021.100787_bib38","doi-asserted-by":"crossref","first-page":"33151","DOI":"10.1021\/acsomega.0c04808","article-title":"Structure-based virtual screening and biochemical validation to discover a potential inhibitor of the SARS-CoV-2 main protease","volume":"5","author":"Gupta","year":"2020","journal-title":"ACS Omega"},{"key":"10.1016\/j.imu.2021.100787_bib39","series-title":"Cephalosporins, StatPearls","author":"Bui","year":"2020"},{"key":"10.1016\/j.imu.2021.100787_bib40","doi-asserted-by":"crossref","DOI":"10.1039\/D1MD00200G","article-title":"\u03b2-Lactam antibiotic targets and resistance mechanisms: from covalent inhibitors to substrates","author":"Mora-Ochomogo","year":"2021","journal-title":"RSC Med. Chem."},{"key":"10.1016\/j.imu.2021.100787_bib41","doi-asserted-by":"crossref","first-page":"59","DOI":"10.1016\/0166-3542(88)90014-9","article-title":"Inhibition of HSV-1 and vaccinia virus replication by cephalosporin derivatives","volume":"10","author":"Cottagnoud","year":"1988","journal-title":"Antivir Res"},{"key":"10.1016\/j.imu.2021.100787_bib42","doi-asserted-by":"crossref","DOI":"10.3389\/fchem.2020.624765","article-title":"Structural insight into the SARS-CoV-2 nucleocapsid protein C-terminal domain reveals a novel recognition mechanism for viral transcriptional regulatory sequences","volume":"8","author":"Yang","year":"2021","journal-title":"Front. Chem."},{"key":"10.1016\/j.imu.2021.100787_bib43","doi-asserted-by":"crossref","first-page":"1","DOI":"10.3390\/ph13120443","article-title":"Fda-approved drugs with potent in vitro antiviral activity against severe acute respiratory syndrome coronavirus 2","volume":"13","author":"Mostafa","year":"2020","journal-title":"Pharmaceuticals"},{"key":"10.1016\/j.imu.2021.100787_bib44","doi-asserted-by":"crossref","first-page":"3830","DOI":"10.3390\/molecules25173830","article-title":"Drug repurposing for candidate SARS-CoV-2 main protease inhibitors by a novel in silico method","volume":"25","author":"Sencanski","year":"2020","journal-title":"Molecules"},{"key":"10.1016\/j.imu.2021.100787_bib45","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1177\/095632020101200204","article-title":"Anti-HIV-1 activity in vitro of ceftazidime degradation products","volume":"12","author":"Hobi","year":"2001","journal-title":"Antivir Chem Chemother"},{"key":"10.1016\/j.imu.2021.100787_bib46","doi-asserted-by":"crossref","first-page":"268","DOI":"10.1186\/s12917-015-0586-3","article-title":"Ceftiofur hydrochloride affects the humoral and cellular immune response in pigs after vaccination against swine influenza and pseudorabies","volume":"11","author":"Pomorska-M\u00f3l","year":"2015","journal-title":"BMC Vet Res"},{"key":"10.1016\/j.imu.2021.100787_bib47","doi-asserted-by":"crossref","first-page":"2152","DOI":"10.1111\/bcp.14612","article-title":"Acute and fatal cephalosporin-induced autoimmune haemolytic anaemia","volume":"87","author":"Boil\u00e8ve","year":"2021","journal-title":"Br J Clin Pharmacol"},{"key":"10.1016\/j.imu.2021.100787_bib48","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1080\/10245332.2000.11746527","article-title":"Cephalosporin-induced hemolytic anemia in a Sicilian child","volume":"5","author":"Malaponte","year":"2000","journal-title":"Hematology"},{"key":"10.1016\/j.imu.2021.100787_bib49","doi-asserted-by":"crossref","first-page":"530","DOI":"10.4103\/0253-7613.117758","article-title":"Ceftriaxone-induced hemolysis","volume":"45","author":"Guleria","year":"2013","journal-title":"Indian J Pharmacol"},{"key":"10.1016\/j.imu.2021.100787_bib50","doi-asserted-by":"crossref","first-page":"67","DOI":"10.1186\/s40360-018-0257-7","article-title":"Ceftriaxone-induced hemolytic anemia with severe renal failure: a case report and review of literature","volume":"19","author":"Leicht","year":"2018","journal-title":"BMC Pharmacol. Toxicol."},{"key":"10.1016\/j.imu.2021.100787_bib51","article-title":"Ceftriaxone-induced immune hemolytic anemia","volume":"12","author":"Singh","year":"2020","journal-title":"Cureus"},{"key":"10.1016\/j.imu.2021.100787_bib52","doi-asserted-by":"crossref","first-page":"S291","DOI":"10.14309\/00000434-201110002-00774","article-title":"Ceftriaxone induced acute autoimmune hepatitis and fulminant hepatic failure","volume":"106","author":"Cheema","year":"2011","journal-title":"Am J Gastroenterol"},{"key":"10.1016\/j.imu.2021.100787_bib53","doi-asserted-by":"crossref","first-page":"4294","DOI":"10.5504\/BBEQ.2013.0098","article-title":"Clinical course of drug-induced lupus and immunological profile of patients","volume":"27","author":"Reshkova","year":"2013","journal-title":"Biotechnol Biotechnol Equip"},{"key":"10.1016\/j.imu.2021.100787_bib54","doi-asserted-by":"crossref","first-page":"122","DOI":"10.5114\/reum.2016.61212","article-title":"Rheumatic diseases induced by drugs and environmental factors: the state-of-the-art - part one","volume":"54","author":"Niklas","year":"2016","journal-title":"Reumatologia"},{"key":"10.1016\/j.imu.2021.100787_bib55","doi-asserted-by":"crossref","first-page":"1300","DOI":"10.2215\/CJN.01910215","article-title":"Drug-induced glomerular disease: immune-mediated injury","volume":"10","author":"Hogan","year":"2015","journal-title":"Clin J Am Soc Nephrol"},{"key":"10.1016\/j.imu.2021.100787_bib56","doi-asserted-by":"crossref","first-page":"713","DOI":"10.1093\/toxsci\/kfy001","article-title":"An animal model of abacavir-induced HLA-mediated liver injury","volume":"162","author":"Song","year":"2018","journal-title":"Toxicol Sci"},{"key":"10.1016\/j.imu.2021.100787_bib57","doi-asserted-by":"crossref","first-page":"3054","DOI":"10.3389\/fimmu.2019.03054","article-title":"TLR7 agonism accelerates disease and causes a fatal myeloproliferative disorder in NZM 2410 lupus mice","volume":"10","author":"Wirth","year":"2019","journal-title":"Front Immunol"},{"key":"10.1016\/j.imu.2021.100787_bib58","doi-asserted-by":"crossref","first-page":"1508","DOI":"10.1053\/j.gastro.2013.02.003","article-title":"GS-9620, an oral agonist of toll-like receptor-7, induces prolonged suppression of hepatitis B virus in chronically infected chimpanzees","volume":"144","author":"Lanford","year":"2013","journal-title":"Gastroenterology"},{"key":"10.1016\/j.imu.2021.100787_bib59","doi-asserted-by":"crossref","first-page":"5","DOI":"10.1186\/1471-2334-12-5","article-title":"R-848 triggers the expression of TLR7\/8 and suppresses HIV replication in monocytes","volume":"12","author":"Nian","year":"2012","journal-title":"BMC Infect Dis"},{"key":"10.1016\/j.imu.2021.100787_bib60","doi-asserted-by":"crossref","first-page":"16","DOI":"10.1016\/S0168-8278(05)81446-1","article-title":"34 Final results of a phase I\/II dose escalation trial of valtorcitabine in patients with chronic hepatitis B","volume":"42","author":"Lim","year":"2005","journal-title":"J Hepatol"},{"key":"10.1016\/j.imu.2021.100787_bib61","doi-asserted-by":"crossref","first-page":"115315","DOI":"10.18632\/oncotarget.23258","article-title":"Gemcitabine, a broad-spectrum antiviral drug, suppresses enterovirus infections through innate immunity induced by the inhibition of pyrimidine biosynthesis and nucleotide depletion","volume":"8","author":"Lee","year":"2017","journal-title":"Oncotarget"},{"key":"10.1016\/j.imu.2021.100787_bib62","first-page":"66","article-title":"Drug reaction with eosinophilia and systemic symptoms (DRESS) in children","volume":"90","author":"Mori","year":"2019","journal-title":"Acta Biomed"}],"container-title":["Informatics in Medicine Unlocked"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S2352914821002586?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S2352914821002586?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,11,7]],"date-time":"2025-11-07T05:20:58Z","timestamp":1762492858000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2352914821002586"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021]]},"references-count":62,"alternative-id":["S2352914821002586"],"URL":"https:\/\/doi.org\/10.1016\/j.imu.2021.100787","relation":{},"ISSN":["2352-9148"],"issn-type":[{"value":"2352-9148","type":"print"}],"subject":[],"published":{"date-parts":[[2021]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Discovery of new TLR7 agonists by a combination of statistical learning-based QSAR, virtual screening, and molecular dynamics","name":"articletitle","label":"Article Title"},{"value":"Informatics in Medicine Unlocked","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.imu.2021.100787","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2021 The Author(s). Published by Elsevier Ltd.","name":"copyright","label":"Copyright"}],"article-number":"100787"}}