{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,6]],"date-time":"2026-05-06T08:14:13Z","timestamp":1778055253022,"version":"3.51.4"},"reference-count":45,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,8,1]],"date-time":"2026-08-01T00:00:00Z","timestamp":1785542400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,8,1]],"date-time":"2026-08-01T00:00:00Z","timestamp":1785542400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,8,1]],"date-time":"2026-08-01T00:00:00Z","timestamp":1785542400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2026,8,1]],"date-time":"2026-08-01T00:00:00Z","timestamp":1785542400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,8,1]],"date-time":"2026-08-01T00:00:00Z","timestamp":1785542400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2026,8,1]],"date-time":"2026-08-01T00:00:00Z","timestamp":1785542400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,8,1]],"date-time":"2026-08-01T00:00:00Z","timestamp":1785542400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Computational Biology and Chemistry"],"published-print":{"date-parts":[[2026,8]]},"DOI":"10.1016\/j.compbiolchem.2026.109044","type":"journal-article","created":{"date-parts":[[2026,4,4]],"date-time":"2026-04-04T13:11:14Z","timestamp":1775308274000},"page":"109044","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"special_numbering":"C","title":["Integrating experimental findings and machine learning models to predict the anticancer potential of newly synthesized oversulfated fucoidan"],"prefix":"10.1016","volume":"123","author":[{"given":"Samet","family":"Kocabay","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0958-5872","authenticated-orcid":false,"given":"Samet","family":"Memi\u015f","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1612-0563","authenticated-orcid":false,"given":"Irmak \u0130\u00e7en","family":"Ta\u015fk\u0131n","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9271-1528","authenticated-orcid":false,"given":"Meryem R\u00fcveyda","family":"Sever","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6108-8673","authenticated-orcid":false,"given":"Ramazan","family":"\u015eener","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.compbiolchem.2026.109044_bib1","doi-asserted-by":"crossref","first-page":"885","DOI":"10.3390\/biom10060885","article-title":"Marine-derived surface active agents: health-promoting properties and blue biotechnology-based applications","volume":"10","author":"Anestopoulos","year":"2020","journal-title":"Biomolecules"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib2","doi-asserted-by":"crossref","first-page":"4612","DOI":"10.3390\/md11114612","article-title":"Simultaneous extraction and depolymerization of fucoidan from sargassum muticum in aqueous media","volume":"11","author":"Balboa","year":"2013","journal-title":"Mar. Drugs"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib3","doi-asserted-by":"crossref","unstructured":"A.P. Barten, The coefficient of determination for regression without a constant term, in: 1987: pp. 181\u2013189. https:\/\/doi.org\/10.1007\/978-94-009-3591-4_12.","DOI":"10.1007\/978-94-009-3591-4_12"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib4","doi-asserted-by":"crossref","first-page":"5","DOI":"10.1023\/A:1010933404324","article-title":"Random Forests","volume":"45","author":"Breiman","year":"2001","journal-title":"Mach. Learn"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib5","series-title":"Classification and Regression Trees","author":"Breiman","year":"2017"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib6","doi-asserted-by":"crossref","first-page":"1241","DOI":"10.1016\/j.drudis.2018.01.039","article-title":"The rise of deep learning in drug discovery","volume":"23","author":"Chen","year":"2018","journal-title":"Drug Discov. Today"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib7","doi-asserted-by":"crossref","first-page":"50","DOI":"10.1109\/TIT.1968.1054098","article-title":"Estimation by the nearest neighbor rule","volume":"14","author":"Cover","year":"1968","journal-title":"IEEE Trans. Inf. Theory"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib8","doi-asserted-by":"crossref","first-page":"541","DOI":"10.1093\/glycob\/cwm014","article-title":"A comparative study of the anti-inflammatory, anticoagulant, antiangiogenic, and antiadhesive activities of nine different fucoidans from brown seaweeds","volume":"17","author":"Cumashi","year":"2007","journal-title":"Glycobiology"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib9","doi-asserted-by":"crossref","first-page":"802","DOI":"10.1111\/j.1365-2656.2008.01390.x","article-title":"A working guide to boosted regression trees","volume":"77","author":"Elith","year":"2008","journal-title":"J. Anim. Ecol."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib10","doi-asserted-by":"crossref","first-page":"799","DOI":"10.1016\/j.ijbiomac.2019.11.191","article-title":"Fucoidan, a natural biopolymer in cancer combating: From edible algae to nanocarrier tailoring","volume":"147","author":"Etman","year":"2020","journal-title":"Int. J. Biol. Macromol."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib11","doi-asserted-by":"crossref","first-page":"1731","DOI":"10.3390\/md9101731","article-title":"Therapies from fucoidan; multifunctional marine polymers","volume":"9","author":"Fitton","year":"2011","journal-title":"Mar. Drugs"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib12","series-title":"Theoria motus corporum coelestum","author":"Gauss","year":"1809"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib13","series-title":"Linear Regression","author":"Gro\u00df","year":"2003"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib14","doi-asserted-by":"crossref","first-page":"6588","DOI":"10.3390\/md13116588","article-title":"Heparanase and syndecan-4 are involved in low molecular weight fucoidan-induced angiogenesis","volume":"13","author":"Haddad","year":"2015","journal-title":"Mar. Drugs"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib15","doi-asserted-by":"crossref","DOI":"10.1016\/j.carbpol.2025.123559","article-title":"Advances in fucoidan and fucoidan oligosaccharides: current status, future prospects, and biological applications","volume":"358","author":"Hamouda","year":"2025","journal-title":"Carbohydr. Polym."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib16","doi-asserted-by":"crossref","first-page":"215","DOI":"10.3390\/md19040215","article-title":"Effect of oversulfation on the composition, structure, and in vitro anti-lung cancer activity of fucoidans extracted from sargassum aquifolium","volume":"19","author":"Hsiao","year":"2021","journal-title":"Mar. Drugs"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib17","doi-asserted-by":"crossref","DOI":"10.1186\/s40169-019-0234-9","article-title":"Clinical applications of fucoidan in translational medicine for adjuvant cancer therapy","volume":"8","author":"Hsu","year":"2019","journal-title":"Clin. Transl. Med."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib18","doi-asserted-by":"crossref","first-page":"188","DOI":"10.34172\/jhp.2024.48302","article-title":"Therapeutic potential of fucoidan in dentistry: a review","volume":"13","author":"Hudiyati","year":"2024","journal-title":"J. Herbmed. Pharmacol."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib19","doi-asserted-by":"crossref","first-page":"679","DOI":"10.1016\/j.ijforecast.2006.03.001","article-title":"Another look at measures of forecast accuracy","volume":"22","author":"Hyndman","year":"2006","journal-title":"Int. J. Forecast"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib20","doi-asserted-by":"crossref","first-page":"265","DOI":"10.3390\/md19050265","article-title":"The therapeutic potential of the anticancer activity of fucoidan: current advances and hurdles","volume":"19","author":"Jin","year":"2021","journal-title":"Mar. Drugs"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib21","doi-asserted-by":"crossref","DOI":"10.1016\/j.compbiolchem.2025.108476","article-title":"Prediction of newly synthesized heparin mimic\u2019s effects as heparanase inhibitor in cancer treatments via variational quantum neural networks","volume":"118","author":"Kocabay","year":"2025","journal-title":"Comput. Biol. Chem."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib22","first-page":"1","article-title":"Investigation of inhibitory effect of sulfated chitosan oligomer on human heparanase enzyme: in silico and in vitro studies","author":"Kocabay","year":"2024","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib23","doi-asserted-by":"crossref","DOI":"10.1214\/ss\/1177013621","article-title":"Memoir on the probability of the causes of events","volume":"1","author":"Laplace","year":"1986","journal-title":"Stat. Sci."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib24","doi-asserted-by":"crossref","first-page":"1671","DOI":"10.3390\/molecules13081671","article-title":"Fucoidan: structure and bioactivity","volume":"13","author":"Li","year":"2008","journal-title":"Molecules"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib25","doi-asserted-by":"crossref","first-page":"154","DOI":"10.1186\/s12935-020-01233-8","article-title":"The anti-cancer effects of fucoidan: a review of both in vivo and in vitro investigations","volume":"20","author":"Lin","year":"2020","journal-title":"Cancer Cell Int."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib26","doi-asserted-by":"crossref","first-page":"487","DOI":"10.3390\/md17090487","article-title":"Therapeutic effects of fucoidan: a review on recent studies","volume":"17","author":"Luthuli","year":"2019","journal-title":"Mar. Drugs"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib27","article-title":"Pharmacological assessment of Coffea arabica compounds as potential therapeutics for cervical cancer","volume":"5","author":"Omoboyede","year":"2025","journal-title":"Bioinforma. Adv."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib28","doi-asserted-by":"crossref","first-page":"M99","DOI":"10.1016\/S0304-419X(01)00017-8","article-title":"Heparanase: a key enzyme involved in cell invasion","volume":"1471","author":"Parish","year":"2001","journal-title":"Biochim. Biophys. Acta (BBA) - Rev. Cancer"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib29","first-page":"253","article-title":"VII. Mathematical contributions to the theory of evolution.\u2014III. Regression, heredity, and panmixia","volume":"187","author":"Pearson","year":"1896","journal-title":"Philos. Trans. R. Soc. Lond. Ser. A Contain. Pap. A Math. Phys. Character"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib30","article-title":"Probabilistic outputs for support vector machines and comparisons to regularized likelihood methods","author":"Platt","year":"1999","journal-title":"Adv. Large Margin Classif."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib31","doi-asserted-by":"crossref","first-page":"1016","DOI":"10.1093\/glycob\/cwn085","article-title":"Structure, biology, evolution, and medical importance of sulfated fucans and galactans","volume":"18","author":"Pomin","year":"2008","journal-title":"Glycobiology"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib32","doi-asserted-by":"crossref","first-page":"224","DOI":"10.1016\/j.carbpol.2005.08.064","article-title":"Effect of oversulfation on the chemical and biological properties of fucoidan","volume":"63","author":"Qiu","year":"2006","journal-title":"Carbohydr. Polym."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib33","series-title":"Gaussian Processes for Machine Learning","author":"Rasmussen","year":"2005"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib34","doi-asserted-by":"crossref","DOI":"10.1016\/j.algal.2022.102796","article-title":"Chemical modifications in the structure of seaweed polysaccharides as a viable antimicrobial application: a current overview and future perspectives","volume":"66","author":"Santinon","year":"2022","journal-title":"Algal Res."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib35","doi-asserted-by":"crossref","first-page":"111","DOI":"10.1111\/j.2517-6161.1974.tb00994.x","article-title":"Cross-Validatory Choice and Assessment of Statistical Predictions","volume":"36","author":"Stone","year":"1974","journal-title":"J. R. Stat. Soc. Ser. B Stat. Method."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib36","doi-asserted-by":"crossref","first-page":"41","DOI":"10.1016\/j.carbpol.2010.01.052","article-title":"Structure and antitumour activity of fucoidan isolated from sporophyll of Korean brown seaweed Undaria pinnatifida","volume":"81","author":"Synytsya","year":"2010","journal-title":"Carbohydr. Polym."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib37","doi-asserted-by":"crossref","DOI":"10.1002\/mabi.201600257","article-title":"Fucoidan-mimetic glycopolymers as tools for studying molecular and cellular responses in human blood platelets","volume":"17","author":"Tengdelius","year":"2017","journal-title":"Macromol. Biosci."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib38","doi-asserted-by":"crossref","DOI":"10.1016\/j.algal.2019.101748","article-title":"Fucoidans: the importance of processing on their anti-tumoral properties","volume":"45","author":"Torres","year":"2020","journal-title":"Algal Res."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib39","doi-asserted-by":"crossref","first-page":"463","DOI":"10.1038\/s41573-019-0024-5","article-title":"Applications of machine learning in drug discovery and development","volume":"18","author":"Vamathevan","year":"2019","journal-title":"Nat. Rev. Drug Discov."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib40","doi-asserted-by":"crossref","first-page":"32","DOI":"10.3390\/md17010032","article-title":"Fucoidan structure and activity in relation to anti-cancer mechanisms","volume":"17","author":"Van Weelden","year":"2019","journal-title":"Mar. Drugs"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib41","doi-asserted-by":"crossref","first-page":"183","DOI":"10.3390\/md17030183","article-title":"Biological activities of fucoidan and the factors mediating its therapeutic effects: a review of recent studies","volume":"17","author":"Wang","year":"2019","journal-title":"Mar. Drugs"},{"key":"10.1016\/j.compbiolchem.2026.109044_bib42","doi-asserted-by":"crossref","first-page":"79","DOI":"10.3354\/cr030079","article-title":"Advantages of the mean absolute error (MAE) over the root mean square error (RMSE) in assessing average model performance","volume":"30","author":"Willmott","year":"2005","journal-title":"Clim. Res."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib43","unstructured":"Wilson, A.G., Knowles, D.A., Ghahramani, Z., 2011. Gaussian process regression networks."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib44","doi-asserted-by":"crossref","first-page":"10520","DOI":"10.1021\/acs.chemrev.8b00728","article-title":"Concepts of artificial intelligence for computer-assisted drug discovery","volume":"119","author":"Yang","year":"2019","journal-title":"Chem. Rev."},{"key":"10.1016\/j.compbiolchem.2026.109044_bib45","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1007\/s10965-018-1476-8","article-title":"Basic fibroblast growth factor released from fucoidan-modified chitosan\/alginate scaffolds for promoting fibroblasts migration","volume":"25","author":"Zeng","year":"2018","journal-title":"J. Polym. Res."}],"container-title":["Computational Biology and Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1476927126001696?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1476927126001696?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,5,6]],"date-time":"2026-05-06T07:29:14Z","timestamp":1778052554000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1476927126001696"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,8]]},"references-count":45,"alternative-id":["S1476927126001696"],"URL":"https:\/\/doi.org\/10.1016\/j.compbiolchem.2026.109044","relation":{},"ISSN":["1476-9271"],"issn-type":[{"value":"1476-9271","type":"print"}],"subject":[],"published":{"date-parts":[[2026,8]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Integrating experimental findings and machine learning models to predict the anticancer potential of newly synthesized oversulfated fucoidan","name":"articletitle","label":"Article Title"},{"value":"Computational Biology and Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.compbiolchem.2026.109044","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2026 Elsevier Ltd. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"109044"}}