{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,31]],"date-time":"2026-10-31T05:33:42Z","timestamp":1793424822250,"version":"4.5.0"},"reference-count":103,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"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":[[2022,12]]},"DOI":"10.1016\/j.compbiolchem.2022.107766","type":"journal-article","created":{"date-parts":[[2022,9,2]],"date-time":"2022-09-02T03:31:21Z","timestamp":1662089481000},"page":"107766","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":22,"special_numbering":"C","title":["EBOLApred: A machine learning-based web application for predicting cell entry inhibitors of the Ebola virus"],"prefix":"10.1016","volume":"101","author":[{"given":"Joseph","family":"Adams","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kwasi","family":"Agyenkwa-Mawuli","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Odame","family":"Agyapong","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Michael D.","family":"Wilson","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Samuel K.","family":"Kwofie","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.compbiolchem.2022.107766_bib1","article-title":"Development of a proteochemometric-based support vector machine model for predicting bioactive molecules of tubulin receptors","author":"Agyapong","year":"2021","journal-title":"Mol. Divers."},{"issue":"3","key":"10.1016\/j.compbiolchem.2022.107766_bib2","doi-asserted-by":"crossref","first-page":"52","DOI":"10.3390\/technologies9030052","article-title":"Effect of data scaling methods on machine learning algorithms and model performance","volume":"9","author":"Ahsan","year":"2021","journal-title":"Technologies"},{"issue":"3","key":"10.1016\/j.compbiolchem.2022.107766_bib3","doi-asserted-by":"crossref","first-page":"192","DOI":"10.6026\/97320630012192","article-title":"Molecular docking based screening of compounds against VP40 from Ebola virus","volume":"12","author":"Alam El-Din","year":"2016","journal-title":"Bioinformation"},{"issue":"7","key":"10.1016\/j.compbiolchem.2022.107766_bib4","doi-asserted-by":"crossref","DOI":"10.1142\/S0218001415500238","article-title":"A Pairwise Na\u00efve Bayes approach to Bayesian classification","volume":"29","author":"Asafu-Adjei","year":"2015","journal-title":"Int. J. Pattern Recognit. Artif. Intell."},{"issue":"5","key":"10.1016\/j.compbiolchem.2022.107766_bib5","doi-asserted-by":"crossref","DOI":"10.3390\/biom11050653","article-title":"Computational identification of potential anti-inflammatory natural compounds targeting the p38 Mitogen-Activated Protein Kinase (MAPK): implications for COVID-19-induced cytokine storm","volume":"11","author":"Asiedu","year":"2021","journal-title":"Biomolecules"},{"issue":"2","key":"10.1016\/j.compbiolchem.2022.107766_bib6","doi-asserted-by":"crossref","first-page":"1","DOI":"10.9734\/IJTDH\/2016\/25021","article-title":"\u201cProperties and drug-likeness of compounds that inhibit Ebola Virus Disease (EVD","volume":"15","author":"Bartzatt","year":"2016","journal-title":"Int. J. Trop. Dis. Heal."},{"issue":"2","key":"10.1016\/j.compbiolchem.2022.107766_bib7","first-page":"735","article-title":"A novel synthetic minority oversampling technique for imbalanced data set learning","volume":"7063 LNCS","author":"Barua","year":"2011","journal-title":"Lect. Notes Comput. Sci. (Incl. Subser. Lect. Notes Artif. Intell. Lect. Notes Bioinforma.)"},{"key":"10.1016\/j.compbiolchem.2022.107766_bib8","doi-asserted-by":"crossref","unstructured":"D. Berrar, \u201cCross-validation,\u201d Encycl. Bioinforma. Comput. Biol. ABC Bioinforma., vol. 1\u20133, no. January 2018, pp. 542\u2013545, 2018, doi: 10.1016\/B978\u20130-12\u2013809633-8.20349-X.","DOI":"10.1016\/B978-0-12-809633-8.20349-X"},{"key":"10.1016\/j.compbiolchem.2022.107766_bib9","first-page":"1","article-title":"Deep neural network modeling based virtual screening and prediction of potential inhibitors for renin protein","author":"Bhagwati","year":"2020","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib10","doi-asserted-by":"crossref","DOI":"10.1016\/j.csda.2019.106839","article-title":"Benchmark for filter methods for feature selection in high-dimensional classification data","volume":"143","author":"Bommert","year":"2020","journal-title":"Comput. Stat. Data Anal."},{"issue":"4","key":"10.1016\/j.compbiolchem.2022.107766_bib11","doi-asserted-by":"crossref","DOI":"10.1016\/j.cell.2013.07.015","article-title":"XStructural rearrangement of ebola virus vp40 begets multiple functions in the virus life cycle","volume":"154","author":"Bornholdt","year":"2013","journal-title":"Cell"},{"issue":"8","key":"10.1016\/j.compbiolchem.2022.107766_bib12","doi-asserted-by":"crossref","first-page":"3582","DOI":"10.1021\/acs.jmedchem.8b00035","article-title":"Computer-aided discovery and characterization of novel Ebola virus inhibitors","volume":"61","author":"Capuzzi","year":"2018","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib13","doi-asserted-by":"crossref","first-page":"321","DOI":"10.1613\/jair.953","article-title":"SMOTE: synthetic minority over-sampling technique","volume":"16","author":"Chawla","year":"2011","journal-title":"J. Artif. Intell. Res."},{"issue":"6","key":"10.1016\/j.compbiolchem.2022.107766_bib14","doi-asserted-by":"crossref","DOI":"10.3390\/genes9060301","article-title":"Decision variants for the automatic determination of optimal feature subset in RF-RFE","volume":"9","author":"Chen","year":"2018","journal-title":"Genes (Basel)"},{"issue":"12","key":"10.1016\/j.compbiolchem.2022.107766_bib15","doi-asserted-by":"crossref","DOI":"10.3390\/molecules26123592","article-title":"Prediction of African swine fever virus inhibitors by molecular docking-driven machine learning models","volume":"26","author":"Choi","year":"2021","journal-title":"Molecules"},{"issue":"12","key":"10.1016\/j.compbiolchem.2022.107766_bib16","doi-asserted-by":"crossref","DOI":"10.3390\/biomedicines9121796","article-title":"Computational study on potential novel anti-Ebola virus protein VP35 natural compounds","volume":"9","author":"Darko","year":"2021","journal-title":"Biomedicines"},{"issue":"Suppl. 1","key":"10.1016\/j.compbiolchem.2022.107766_bib17","first-page":"1","article-title":"Using recursive feature elimination in random forest to account for correlated variables in high dimensional data","volume":"19","author":"Darst","year":"2018","journal-title":"BMC Genet"},{"issue":"15","key":"10.1016\/j.compbiolchem.2022.107766_bib18","doi-asserted-by":"crossref","first-page":"1448","DOI":"10.1056\/NEJMoa1604330","article-title":"A randomized, controlled trial of ZMapp for Ebola virus infection","volume":"375","author":"Davey","year":"2016","journal-title":"N. Engl. J. Med."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib19","doi-asserted-by":"crossref","first-page":"1803","DOI":"10.3389\/fimmu.2018.01803","article-title":"Advances in designing and developing vaccines, drugs, and therapies to counter Ebola virus","volume":"9","author":"Dhama","year":"2018","journal-title":"Front. Immunol."},{"issue":"10","key":"10.1016\/j.compbiolchem.2022.107766_bib20","doi-asserted-by":"crossref","first-page":"1087","DOI":"10.1016\/j.jclinepi.2006.01.014","article-title":"Review: a gentle introduction to imputation of missing values","volume":"59","author":"Donders","year":"2006","journal-title":"J. Clin. Epidemiol."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib21","doi-asserted-by":"crossref","first-page":"277","DOI":"10.12688\/f1000research.5741.1","article-title":"A common feature pharmacophore for FDA-approved drugs inhibiting the Ebola virus","volume":"3","author":"Ekins","year":"2014","journal-title":"F1000Research"},{"key":"10.1016\/j.compbiolchem.2022.107766_bib22","doi-asserted-by":"crossref","first-page":"1091","DOI":"10.12688\/f1000research.7217.1","article-title":"Machine learning models identify molecules active against the Ebola virus in vitro","volume":"4","author":"Ekins","year":"2015","journal-title":"F1000Research"},{"key":"10.1016\/j.compbiolchem.2022.107766_bib23","doi-asserted-by":"crossref","first-page":"32","DOI":"10.1016\/j.ins.2019.07.070","article-title":"A comprehensive analysis of synthetic minority oversampling technique (SMOTE) for handling class imbalance","volume":"505","author":"Elreedy","year":"2019","journal-title":"Inf. Sci. (N.Y.)."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib24","doi-asserted-by":"crossref","unstructured":"J. Emanuel, A. Marzi, and H. Feldmann, Chapter Nine - Filoviruses: Ecology, Molecular Biology, and Evolution, vol. 100, M. Kielian, T. C. Mettenleiter, and M. J. B. T.-A. in V. R. Roossinck, Eds. Academic Press, 2018, pp. 189\u2013221. doi: https:\/\/doi.org\/10.1016\/bs.aivir.2017.12.002.","DOI":"10.1016\/bs.aivir.2017.12.002"},{"key":"10.1016\/j.compbiolchem.2022.107766_bib25","doi-asserted-by":"crossref","unstructured":"N.S. Escanilla, L. Hellerstein, R. Kleiman, Z. Kuang, J.D. Shull, and D. Page, \u201cRecursive Feature Elimination by Sensitivity Testing.,\u201d Proc. Int. Conf. Mach. Learn. Appl. Int. Conf. Mach. Learn. Appl., vol. 2018, pp. 40\u201347, Dec. 2018, doi: 10.1109\/ICMLA.2018.00014.","DOI":"10.1109\/ICMLA.2018.00014"},{"issue":"1","key":"10.1016\/j.compbiolchem.2022.107766_bib26","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pone.0246126","article-title":"Evaluating Deep Learning models for predicting ALK-5 inhibition","volume":"16","author":"Espinoza","year":"2021","journal-title":"PLoS One"},{"key":"10.1016\/j.compbiolchem.2022.107766_bib27","first-page":"2825","article-title":"Scikit-learn: machine learning in Python Ga\u00ebl varoquaux bertrand thirion vincent Dubourg Alexandre Passos PEDREGOSA, VAROQUAUX, GRAMFORT ET AL. Matthieu Perrot","volume":"12","author":"Fabianpedregosa","year":"2011","journal-title":"J. Mach. Learn. Res."},{"issue":"8","key":"10.1016\/j.compbiolchem.2022.107766_bib28","doi-asserted-by":"crossref","first-page":"861","DOI":"10.1016\/j.patrec.2005.10.010","article-title":"An introduction to ROC analysis","volume":"27","author":"Fawcett","year":"2006","journal-title":"Pattern Recognit. Lett."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib29","first-page":"441","article-title":"Index of balanced accuracy: a performance measure for skewed class distributions","volume":"5524 LNCS","author":"Garc\u00eda","year":"2009","journal-title":"Lect. Notes Comput. Sci. (Incl. Subser. Lect. Notes Artif. Intell. Lect. Notes Bioinforma.)"},{"issue":"9","key":"10.1016\/j.compbiolchem.2022.107766_bib30","doi-asserted-by":"crossref","first-page":"4224","DOI":"10.1021\/acs.jcim.1c00683","article-title":"Machine learning models identify inhibitors of SARS-CoV-2","volume":"61","author":"Gawriljuk","year":"2021","journal-title":"J. Chem. Inf. Model."},{"issue":"5","key":"10.1016\/j.compbiolchem.2022.107766_bib31","doi-asserted-by":"crossref","DOI":"10.1093\/bib\/bbab111","article-title":"SMMPPI: a machine learning-based approach for prediction of modulators of protein-protein interactions and its application for identification of novel inhibitors for RBD:hACE2 interactions in SARS-CoV-2","volume":"22","author":"Gupta","year":"2021","journal-title":"Brief. Bioinform."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib32","doi-asserted-by":"crossref","DOI":"10.1016\/j.jbi.2021.103821","article-title":"Machine learning enabled identification of potential SARS-CoV-2 3CLpro inhibitors based on fixed molecular fingerprints and Graph-CNN neural representations","volume":"119","author":"Haneczok","year":"2021","journal-title":"J. Biomed. Inform."},{"issue":"3","key":"10.1016\/j.compbiolchem.2022.107766_bib33","doi-asserted-by":"crossref","first-page":"201","DOI":"10.1080\/13543784.2021.1881061","article-title":"Targeting Ebola virus replication through pharmaceutical intervention","volume":"30","author":"Hansen","year":"2021","journal-title":"Expert Opin. Investig. Drugs"},{"issue":"1","key":"10.1016\/j.compbiolchem.2022.107766_bib34","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1038\/s41572-020-0147-3","article-title":"Ebola virus disease","volume":"6","author":"Jacob","year":"2020","journal-title":"Nat. Rev. Dis. Prim."},{"issue":"10","key":"10.1016\/j.compbiolchem.2022.107766_bib35","doi-asserted-by":"crossref","first-page":"1","DOI":"10.3390\/pathogens10101330","article-title":"Structural and functional aspects of ebola virus proteins","volume":"10","author":"Jain","year":"2021","journal-title":"Pathogens"},{"issue":"1","key":"10.1016\/j.compbiolchem.2022.107766_bib36","doi-asserted-by":"crossref","first-page":"51","DOI":"10.1007\/s13721-021-00326-2","article-title":"A machine learning regression model for the screening and design of potential SARS-CoV-2 protease inhibitors","volume":"10","author":"Janairo","year":"2021","journal-title":"Netw. Model. Anal. Heal. Inform. Bioinforma."},{"issue":"2","key":"10.1016\/j.compbiolchem.2022.107766_bib37","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1016\/j.artmed.2010.05.002","article-title":"Missing data imputation using statistical and machine learning methods in a real breast cancer problem","volume":"50","author":"Jerez","year":"2010","journal-title":"Artif. Intell. Med."},{"issue":"4","key":"10.1016\/j.compbiolchem.2022.107766_bib38","doi-asserted-by":"crossref","first-page":"320","DOI":"10.1007\/s40484-016-0081-2","article-title":"Performance measures in evaluating machine learning based bioinformatics predictors for classifications","volume":"4","author":"Jiao","year":"2016","journal-title":"Quant. Biol."},{"issue":"11","key":"10.1016\/j.compbiolchem.2022.107766_bib39","doi-asserted-by":"crossref","first-page":"5135","DOI":"10.1128\/JVI.01857-05","article-title":"Ebola virus VP35-VP40 interaction is sufficient for packaging 3E\u20135E minigenome RNA into virus-like particles","volume":"80","author":"Johnson","year":"2006","journal-title":"J. Virol."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib40","author":"Juneau","year":"2010","journal-title":"Web Applications With Django"},{"key":"10.1016\/j.compbiolchem.2022.107766_bib41","doi-asserted-by":"crossref","first-page":"141","DOI":"10.1007\/978-1-4939-7899-1_6","article-title":"Applicability domain: a step toward confident predictions and decidability for QSAR modeling","volume":"1800","author":"Kar","year":"2018","journal-title":"Methods Mol. Biol."},{"issue":"2","key":"10.1016\/j.compbiolchem.2022.107766_bib42","doi-asserted-by":"crossref","first-page":"49","DOI":"10.1007\/s00894-021-04682-8","article-title":"Targeting Ebola virus VP40 protein through novel inhibitors: exploring the structural and dynamic perspectives on molecular landscapes","volume":"27","author":"Khan","year":"2021","journal-title":"J. Mol. Model."},{"issue":"1","key":"10.1016\/j.compbiolchem.2022.107766_bib43","doi-asserted-by":"crossref","first-page":"14268","DOI":"10.1038\/s41598-020-71226-0","article-title":"Bats as putative Zaire ebolavirus reservoir hosts and their habitat suitability in Africa","volume":"10","author":"Koch","year":"2020","journal-title":"Sci. Rep."},{"issue":"11","key":"10.1016\/j.compbiolchem.2022.107766_bib44","doi-asserted-by":"crossref","first-page":"1667","DOI":"10.1093\/jamia\/ocaa127","article-title":"Synthetic minority oversampling of vital statistics data with generative adversarial networks","volume":"27","author":"Koivu","year":"2020","journal-title":"J. Am. Med. Inform. Assoc."},{"issue":"1","key":"10.1016\/j.compbiolchem.2022.107766_bib45","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1038\/emi.2014.88","article-title":"Identification of 53 compounds that block Ebola virus-like particle entry via a repurposing screen of approved drugs","volume":"3","author":"Kouznetsova","year":"2014","journal-title":"Emerg. Microbes \\ Infect."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib46","author":"Kramer","year":"2016","journal-title":"Machine learning for evolution strategies"},{"issue":"6","key":"10.1016\/j.compbiolchem.2022.107766_bib47","first-page":"54","article-title":"Updates on treatment of ebola virus disease","volume":"22","author":"Krishnasamy","year":"2015","journal-title":"Malays. J. Med. Sci."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib48","unstructured":"J. Kuhn et al., Filoviridae, 2020."},{"issue":"1","key":"10.1016\/j.compbiolchem.2022.107766_bib49","doi-asserted-by":"crossref","DOI":"10.1088\/1757-899X\/1099\/1\/012077","article-title":"Classification of imbalanced data: review of methods and applications","volume":"1099","author":"Kumar","year":"2021","journal-title":"IOP Conf. Ser. Mater. Sci. Eng."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib50","doi-asserted-by":"crossref","DOI":"10.1016\/j.compbiomed.2021.104317","article-title":"Deep learning model for virtual screening of novel 3C-like protease enzyme inhibitors against SARS coronavirus diseases","volume":"132","author":"Kumari","year":"2021","journal-title":"Comput. Biol. Med."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib51","doi-asserted-by":"crossref","DOI":"10.1016\/j.compbiomed.2019.103414","article-title":"Pharmacoinformatics-based identification of potential bioactive compounds against Ebola virus protein VP24","volume":"113","author":"Kwofie","year":"2019","journal-title":"Comput. Biol. Med."},{"issue":"August","key":"10.1016\/j.compbiolchem.2022.107766_bib52","article-title":"Pharmacoinformatics-based identification of potential bioactive compounds against Ebola virus protein VP24","volume":"vol. 113","author":"Kwofie","year":"2019","journal-title":"Comput. Biol. Med."},{"issue":"2","key":"10.1016\/j.compbiolchem.2022.107766_bib53","doi-asserted-by":"crossref","DOI":"10.3390\/molecules26020406","article-title":"Cheminformatics-Based Identification of Potential Novel Anti-SARS-CoV-2 Natural Compounds of African Origin","volume":"vol. 26","author":"Kwofie","year":"2021","journal-title":"Molecules"},{"key":"10.1016\/j.compbiolchem.2022.107766_bib54","doi-asserted-by":"crossref","DOI":"10.1016\/j.antiviral.2020.104908","article-title":"Repurposing Pyramax\u00ae, quinacrine and tilorone as treatments for Ebola virus disease","volume":"182","author":"Lane","year":"2020","journal-title":"Antivir. Res"},{"issue":"8","key":"10.1016\/j.compbiolchem.2022.107766_bib55","doi-asserted-by":"crossref","first-page":"1653","DOI":"10.1021\/acsmedchemlett.0c00298","article-title":"Toward the target: tilorone, quinacrine, and pyronaridine bind to Ebola virus glycoprotein","volume":"11","author":"Lane","year":"2020","journal-title":"ACS Med. Chem. Lett."},{"issue":"5","key":"10.1016\/j.compbiolchem.2022.107766_bib56","doi-asserted-by":"crossref","first-page":"595","DOI":"10.1007\/s40265-021-01483-4","article-title":"Ansuvimab: first approval","volume":"81","author":"Lee","year":"2021","journal-title":"Drugs"},{"issue":"7201","key":"10.1016\/j.compbiolchem.2022.107766_bib57","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1038\/nature07082","article-title":"Structure of the Ebola virus glycoprotein bound to an antibody from a human survivor","volume":"454","author":"Lee","year":"2008","journal-title":"Nature"},{"issue":"1","key":"10.1016\/j.compbiolchem.2022.107766_bib58","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1186\/s13054-016-1325-2","article-title":"Ebola virus disease and critical illness","volume":"20","author":"Leligdowicz","year":"2016","journal-title":"Crit. Care"},{"key":"10.1016\/j.compbiolchem.2022.107766_bib59","first-page":"1","article-title":"Imbalanced-learn: a python toolbox to tackle the curse of imbalanced datasets in machine learning","volume":"vol. 18","author":"Lema\u02c6\u0131treLema\u02c6\u0131tre","year":"2017","journal-title":"J. Mach. Learn. Res."},{"issue":"5","key":"10.1016\/j.compbiolchem.2022.107766_bib60","doi-asserted-by":"crossref","first-page":"537","DOI":"10.2217\/fvl.15.6","article-title":"The multifunctional Ebola virus VP40 matrix protein is a promising therapeutic target","volume":"10","author":"Madara","year":"2015","journal-title":"Future Virol."},{"issue":"7","key":"10.1016\/j.compbiolchem.2022.107766_bib61","doi-asserted-by":"crossref","first-page":"317","DOI":"10.1021\/acsinfecdis.5b00030","article-title":"Evaluation of Ebola virus inhibitors for drug repurposing","volume":"1","author":"Madrid","year":"2015","journal-title":"ACS Infect. Dis."},{"issue":"10","key":"10.1016\/j.compbiolchem.2022.107766_bib62","doi-asserted-by":"crossref","first-page":"1037","DOI":"10.1007\/s10822-021-00418-1","article-title":"\u201cStackHCV: a web-based integrative machine-learning framework for large-scale identification of hepatitis C virus NS5B inhibitors","volume":"35","author":"Malik","year":"2021","journal-title":"J. Comput. Aided Mol. Des."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib63","doi-asserted-by":"crossref","first-page":"2065","DOI":"10.1007\/978-3-319-27282-5_51","article-title":"Molecular descriptors","author":"Mauri","year":"2017","journal-title":"Handb. Comput. Chem."},{"issue":"14","key":"10.1016\/j.compbiolchem.2022.107766_bib64","doi-asserted-by":"crossref","DOI":"10.3390\/ijms22147714","article-title":"Support vector machine as a supervised learning for the prioritization of novel potential SARS-CoV-2 main protease inhibitors","volume":"22","author":"Mekni","year":"2021","journal-title":"Int. J. Mol. Sci."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib65","doi-asserted-by":"crossref","first-page":"1384","DOI":"10.1016\/j.ijbiomac.2021.04.184","article-title":"Ebolabase: Zaire ebolavirus-human protein interaction database for drug-repurposing","volume":"vol. 182","author":"Muthaiyan","year":"2021","journal-title":"Int. J. Biol. Macromol."},{"issue":"3","key":"10.1016\/j.compbiolchem.2022.107766_bib66","doi-asserted-by":"crossref","first-page":"3315","DOI":"10.1007\/s11033-019-04792-w","article-title":"In silico screening of sugar alcohol compounds to inhibit viral matrix protein VP40 of Ebola virus","volume":"46","author":"Nagarajan","year":"2019","journal-title":"Mol. Biol. Rep."},{"issue":"9","key":"10.1016\/j.compbiolchem.2022.107766_bib67","doi-asserted-by":"crossref","first-page":"627","DOI":"10.6026\/97320630015627","article-title":"Molecular docking enabled updated screening of the matrix protein VP40 from Ebola virus with millions of compounds in the MCULE database for potential inhibitors","volume":"15","author":"Odhar","year":"2019","journal-title":"Bioinformation"},{"issue":"2","key":"10.1016\/j.compbiolchem.2022.107766_bib68","doi-asserted-by":"crossref","DOI":"10.1128\/mBio.00137-15","article-title":"Transmission of Ebola viruses: what we know and what we do not know","volume":"6","author":"Osterholm","year":"2015","journal-title":"MBio"},{"issue":"8","key":"10.1016\/j.compbiolchem.2022.107766_bib69","doi-asserted-by":"crossref","first-page":"4012","DOI":"10.1109\/TIP.2018.2834830","article-title":"Improved random forest for classification","volume":"27","author":"Paul","year":"2018","journal-title":"IEEE Trans. Image Process. Publ. IEEE Signal Process. Soc."},{"issue":"9","key":"10.1016\/j.compbiolchem.2022.107766_bib70","doi-asserted-by":"crossref","first-page":"1947","DOI":"10.1109\/TNNLS.2015.2461436","article-title":"\u201cOversampling the minority class in the feature space","volume":"27","author":"Perez-Ortiz","year":"2016","journal-title":"IEEE Trans. Neural Netw. Learn. Syst."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib71","doi-asserted-by":"crossref","first-page":"301","DOI":"10.3390\/genes9060301","article-title":"Decision variants for the automatic determination of optimal feature subset in RF-RFE","volume":"9","author":"Qi","year":"2018","journal-title":"Genes (Basel)"},{"key":"10.1016\/j.compbiolchem.2022.107766_bib72","doi-asserted-by":"crossref","unstructured":"A.I. Qureshi, Chapter 3 - Ebola Virus: The Origins, A. I. B. T.-E. V. D. Qureshi, Ed. Academic Press, 2016, pp. 23\u201337. doi: https:\/\/doi.org\/10.1016\/B978\u20130-12\u2013804230-4.00003\u20130.","DOI":"10.1016\/B978-0-12-804230-4.00003-0"},{"issue":"5","key":"10.1016\/j.compbiolchem.2022.107766_bib73","doi-asserted-by":"crossref","first-page":"337","DOI":"10.1016\/S2221-1691(15)30365-8","article-title":"Ebola virus disease: past, present and future","volume":"5","author":"Rajak","year":"2015","journal-title":"Asian Pac. J. Trop. Biomed."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib74","first-page":"1","article-title":"Anti-Ebola: an initiative to predict Ebola virus inhibitors through machine learning","author":"Rajput","year":"2021","journal-title":"Mol. Divers."},{"issue":"2","key":"10.1016\/j.compbiolchem.2022.107766_bib75","doi-asserted-by":"crossref","first-page":"1076","DOI":"10.1093\/bib\/bbaa421","article-title":"DrugRepV: a compendium of repurposed drugs and chemicals targeting epidemic and pandemic viruses","volume":"22","author":"Rajput","year":"2021","journal-title":"Brief. Bioinform."},{"issue":"15","key":"10.1016\/j.compbiolchem.2022.107766_bib76","doi-asserted-by":"crossref","first-page":"1","DOI":"10.3390\/ijms21155542","article-title":"Comprehensive analysis of applicability domains of QSPR models for chemical reactions","volume":"21","author":"Rakhimbekova","year":"2020","journal-title":"Int. J. Mol. Sci."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib77","doi-asserted-by":"crossref","first-page":"22","DOI":"10.1016\/j.chemolab.2015.04.013","article-title":"On a simple approach for determining applicability domain of QSAR models","volume":"145","author":"Roy","year":"2015","journal-title":"Chemom. Intell. Lab. Syst."},{"issue":"3","key":"10.1016\/j.compbiolchem.2022.107766_bib78","doi-asserted-by":"crossref","DOI":"10.3390\/v11030274","article-title":"Ebola virus entry: from molecular characterization to drug discovery","volume":"11","author":"Salata","year":"2019","journal-title":"Viruses"},{"issue":"0123456789","key":"10.1016\/j.compbiolchem.2022.107766_bib79","article-title":"Machine learning-based modeling to predict inhibitors of acetylcholinesterase","author":"Sandhu","year":"2021","journal-title":"Mol. Divers."},{"issue":"2","key":"10.1016\/j.compbiolchem.2022.107766_bib80","doi-asserted-by":"crossref","first-page":"395","DOI":"10.1080\/07391102.2020.1715260","article-title":"Screening of inhibitors as potential remedial against Ebolavirus infection: pharmacophore-based approach","volume":"39","author":"Sankar","year":"2021","journal-title":"J. Biomol. Struct. Dyn."},{"issue":"10","key":"10.1016\/j.compbiolchem.2022.107766_bib81","doi-asserted-by":"crossref","DOI":"10.3390\/molecules22101777","article-title":"A systematic review of computational drug discovery, development, and repurposing for Ebola virus disease treatment","volume":"22","author":"Schuler","year":"2017","journal-title":"Molecules"},{"key":"10.1016\/j.compbiolchem.2022.107766_bib82","first-page":"59","article-title":"A study on the relationships of classifier performance metrics","author":"Seliya","year":"2009","journal-title":"Proc. - Int. Conf. Tools Artif. Intell. ICTAI"},{"issue":"1","key":"10.1016\/j.compbiolchem.2022.107766_bib83","doi-asserted-by":"crossref","first-page":"27897","DOI":"10.1038\/srep27897","article-title":"Estimating potency in high-throughput screening experiments by maximizing the rate of change in weighted Shannon entropy","volume":"vol. 6","author":"Shockley","year":"2016","journal-title":"Sci. Rep."},{"issue":"3","key":"10.1016\/j.compbiolchem.2022.107766_bib84","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pmed.1001967","article-title":"Experimental treatment with favipiravir for Ebola virus disease (the JIKI Trial): a historically controlled, single-arm proof-of-concept trial in Guinea","volume":"13","author":"Sissoko","year":"2016","journal-title":"PLoS Med"},{"issue":"1","key":"10.1016\/j.compbiolchem.2022.107766_bib85","doi-asserted-by":"crossref","first-page":"334","DOI":"10.1124\/pr.112.007336","article-title":"Computational methods in drug discovery","volume":"66","author":"Sliwoski","year":"2013","journal-title":"Pharmacol. Rev."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib86","doi-asserted-by":"crossref","unstructured":"J.C. Stoltzfus, Logistic regression: a brief primer., Acad. Emerg. Med. Off. J. Soc. Acad. Emerg. Med., vol. 18, no. 10, pp. 1099\u20131104, Oct. 2011, doi: 10.1111\/j.1553\u20132712.2011.01185.x.","DOI":"10.1111\/j.1553-2712.2011.01185.x"},{"issue":"6","key":"10.1016\/j.compbiolchem.2022.107766_bib87","doi-asserted-by":"crossref","first-page":"286","DOI":"10.6026\/97320630009286","article-title":"High-throughput virtual screening and docking studies of matrix protein vp40 of ebola virus","volume":"9","author":"Tamilvanan","year":"2013","journal-title":"Bioinformation"},{"issue":"1","key":"10.1016\/j.compbiolchem.2022.107766_bib88","first-page":"77","article-title":"Python as a tool for web server application development","volume":"2","author":"Taneja","year":"2014","journal-title":"Int. J. Inf., Commun. Comput. Technol."},{"issue":"9","key":"10.1016\/j.compbiolchem.2022.107766_bib89","doi-asserted-by":"crossref","first-page":"1009","DOI":"10.1177\/2472555220918201","article-title":"Controlling the reproducibility of AC50 estimation during compound profiling through Bayesian \u03b2-expectation tolerance intervals","volume":"25","author":"Tendong","year":"2020","journal-title":"SLAS Disco"},{"key":"10.1016\/j.compbiolchem.2022.107766_bib90","doi-asserted-by":"crossref","first-page":"524","DOI":"10.1016\/j.ijbiomac.2021.01.076","article-title":"Trends and strategies to combat viral infections: a review on FDA approved antiviral drugs","volume":"172","author":"Tompa","year":"2021","journal-title":"Int. J. Biol. Macromol."},{"issue":"3","key":"10.1016\/j.compbiolchem.2022.107766_bib91","doi-asserted-by":"crossref","first-page":"189","DOI":"10.4258\/hir.2021.27.3.189","article-title":"Impact of the choice of cross-validation techniques on the results of machine learning-based diagnostic applications","volume":"27","author":"Tougui","year":"2021","journal-title":"Healthc. Inform. Res."},{"issue":"2","key":"10.1016\/j.compbiolchem.2022.107766_bib92","doi-asserted-by":"crossref","first-page":"899","DOI":"10.1007\/s11030-020-10074-6","article-title":"Drug design by machine-trained elastic networks: predicting Ser\/Thr-protein kinase inhibitors\u2019 activities","volume":"25","author":"Toussi","year":"2021","journal-title":"Mol. Divers."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib93","doi-asserted-by":"crossref","unstructured":"S. bin Uzayr, N. Cloud, and T. Ambler, \u201cReact BT - JavaScript Frameworks for Modern Web Development: The Essential Frameworks, Libraries, and Tools to Learn Right Now,\u201d pp. 507\u2013521, 2019, [Online]. Available: https:\/\/doi.org\/10.1007\/978\u20131-4842\u20134995-6_13.","DOI":"10.1007\/978-1-4842-4995-6_13"},{"key":"10.1016\/j.compbiolchem.2022.107766_bib94","doi-asserted-by":"crossref","first-page":"104","DOI":"10.1016\/j.procs.2020.01.079","article-title":"A review of dimensionality reduction techniques for efficient computation","volume":"165","author":"Velliangiri","year":"2019","journal-title":"Procedia Comput. Sci."},{"issue":"3","key":"10.1016\/j.compbiolchem.2022.107766_bib95","doi-asserted-by":"crossref","first-page":"261","DOI":"10.1038\/s41592-019-0686-2","article-title":"SciPy 1.0: fundamental algorithms for scientific computing in Python","volume":"17","author":"Virtanen","year":"2020","journal-title":"Nat. Methods"},{"issue":"7680","key":"10.1016\/j.compbiolchem.2022.107766_bib96","doi-asserted-by":"crossref","first-page":"394","DOI":"10.1038\/nature24490","article-title":"Structure and assembly of the Ebola virus nucleocapsid","volume":"551","author":"Wan","year":"2017","journal-title":"Nature"},{"issue":"Web Server issue","key":"10.1016\/j.compbiolchem.2022.107766_bib97","doi-asserted-by":"crossref","first-page":"W623","DOI":"10.1093\/nar\/gkp456","article-title":"PubChem: a public information system for analyzing bioactivities of small molecules","volume":"37","author":"Wang","year":"2009","journal-title":"Nucleic Acids Res"},{"issue":"7594","key":"10.1016\/j.compbiolchem.2022.107766_bib98","doi-asserted-by":"crossref","first-page":"381","DOI":"10.1038\/nature17180","article-title":"Therapeutic efficacy of the small molecule GS-5734 against Ebola virus in rhesus monkeys","volume":"531","author":"Warren","year":"2016","journal-title":"Nature"},{"issue":"7","key":"10.1016\/j.compbiolchem.2022.107766_bib99","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1371\/journal.pone.0067863","article-title":"The role of balanced training and testing data sets for binary classifiers in bioinformatics","volume":"8","author":"Wei","year":"2013","journal-title":"PLoS One"},{"issue":"7","key":"10.1016\/j.compbiolchem.2022.107766_bib100","doi-asserted-by":"crossref","first-page":"1466","DOI":"10.1002\/jcc.21707","article-title":"PaDEL-descriptor: an open source software to calculate molecular descriptors and fingerprints","volume":"32","author":"Yap","year":"2011","journal-title":"J. Comput. Chem."},{"issue":"3","key":"10.1016\/j.compbiolchem.2022.107766_bib101","first-page":"57","article-title":"General introduction into the Ebola virus biology and disease","volume":"54","author":"Zawili\u0144ska","year":"2014","journal-title":"Folia Med. Cracov."},{"issue":"5","key":"10.1016\/j.compbiolchem.2022.107766_bib102","doi-asserted-by":"crossref","first-page":"1774","DOI":"10.1109\/TNNLS.2017.2673241","article-title":"Efficient kNN classification with different numbers of nearest neighbors","volume":"29","author":"Zhang","year":"2018","journal-title":"IEEE Trans. Neural Netw. Learn. Syst."},{"key":"10.1016\/j.compbiolchem.2022.107766_bib103","doi-asserted-by":"crossref","first-page":"5559338","DOI":"10.1155\/2021\/5559338","article-title":"Classification and design of HIV-1 integrase inhibitors based on machine learning","volume":"2021","author":"Zhou","year":"2021","journal-title":"Comput. Math. Methods Med."}],"container-title":["Computational Biology and Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1476927122001463?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1476927122001463?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,26]],"date-time":"2025-10-26T13:25:31Z","timestamp":1761485131000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1476927122001463"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,12]]},"references-count":103,"alternative-id":["S1476927122001463"],"URL":"https:\/\/doi.org\/10.1016\/j.compbiolchem.2022.107766","relation":{},"ISSN":["1476-9271"],"issn-type":[{"value":"1476-9271","type":"print"}],"subject":[],"published":{"date-parts":[[2022,12]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"EBOLApred: A machine learning-based web application for predicting cell entry inhibitors of the Ebola virus","name":"articletitle","label":"Article Title"},{"value":"Computational Biology and Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.compbiolchem.2022.107766","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2022 Elsevier Ltd. All rights reserved.","name":"copyright","label":"Copyright"}],"article-number":"107766"}}