{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,21]],"date-time":"2026-03-21T09:21:35Z","timestamp":1774084895109,"version":"3.50.1"},"reference-count":73,"publisher":"Public Library of Science (PLoS)","issue":"11","license":[{"start":{"date-parts":[[2019,11,25]],"date-time":"2019-11-25T00:00:00Z","timestamp":1574640000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100010663","name":"H2020 European Research Council","doi-asserted-by":"publisher","award":["716063"],"award-info":[{"award-number":["716063"]}],"id":[{"id":"10.13039\/100010663","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100005878","name":"Terveyden Tutkimuksen Toimikunta","doi-asserted-by":"publisher","award":["317680"],"award-info":[{"award-number":["317680"]}],"id":[{"id":"10.13039\/501100005878","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100010890","name":"Chinese Government Scholarship","doi-asserted-by":"publisher","award":["201706740080"],"award-info":[{"award-number":["201706740080"]}],"id":[{"id":"10.13039\/501100010890","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["www.ploscompbiol.org"],"crossmark-restriction":false},"short-container-title":["PLoS Comput Biol"],"DOI":"10.1371\/journal.pcbi.1007249","type":"journal-article","created":{"date-parts":[[2019,11,25]],"date-time":"2019-11-25T13:23:56Z","timestamp":1574688236000},"page":"e1007249","update-policy":"https:\/\/doi.org\/10.1371\/journal.pcbi.corrections_policy","source":"Crossref","is-referenced-by-count":50,"title":["Predicting Meridian in Chinese traditional medicine using machine learning approaches"],"prefix":"10.1371","volume":"15","author":[{"given":"Yinyin","family":"Wang","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mohieddin","family":"Jafari","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yun","family":"Tang","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7480-7710","authenticated-orcid":true,"given":"Jing","family":"Tang","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"340","published-online":{"date-parts":[[2019,11,25]]},"reference":[{"issue":"46","key":"pcbi.1007249.ref001","doi-asserted-by":"crossref","first-page":"6935","DOI":"10.2174\/1381612822666160923115828","article-title":"Polypharmacology in precision oncology: current applications and future prospects","volume":"22","author":"A A Antolin","year":"2016","journal-title":"Curr Pharm Des"},{"issue":"1","key":"pcbi.1007249.ref002","doi-asserted-by":"crossref","first-page":"51","DOI":"10.1016\/j.cmet.2016.06.021","article-title":"Unimolecular polypharmacy for treatment of diabetes and obesity","volume":"24","author":"MH Tsch\u00f6p","year":"2016","journal-title":"Cell Metab"},{"issue":"1","key":"pcbi.1007249.ref003","doi-asserted-by":"crossref","first-page":"41","DOI":"10.1586\/ecp.12.74","article-title":"Polypharmacology: drug discovery for the future","volume":"6","author":"AS Reddy","year":"2013","journal-title":"Expert Rev Clin Pharmacol"},{"issue":"11","key":"pcbi.1007249.ref004","doi-asserted-by":"crossref","first-page":"S6","DOI":"10.1186\/1471-2105-11-S11-S6","article-title":"Herb network construction and co-module analysis for uncovering the combination rule of traditional Chinese herbal formulae","volume":"11","author":"S Li","year":"2010","journal-title":"BMC Bioinformatics"},{"issue":"6219","key":"pcbi.1007249.ref005","first-page":"S38","article-title":"A novel drug discovery strategy inspired by traditional medicine philosophies","volume":"347","author":"X Zhao","year":"2015","journal-title":"Science"},{"key":"pcbi.1007249.ref006","doi-asserted-by":"crossref","first-page":"36767","DOI":"10.1038\/srep36767","article-title":"Herb-target interaction network analysis helps to disclose molecular mechanism of traditional Chinese medicine","volume":"6","author":"H Liang","year":"2016","journal-title":"Sci Rep"},{"key":"pcbi.1007249.ref007","article-title":"Deciphering Potential Correlations between New Biomarkers and Pattern Classification in Chinese Medicine by Bioinformatics: Two Examples of Rheumatoid Arthritis","author":"C Zhang","year":"2018","journal-title":"Chin J Integr Med"},{"issue":"6","key":"pcbi.1007249.ref008","doi-asserted-by":"crossref","first-page":"182","DOI":"10.1016\/S0165-6147(00)89019-7","article-title":"Progress in traditional Chinese medicine","volume":"16","author":"K Chan","year":"1995","journal-title":"Trends Pharmacol Sci"},{"key":"pcbi.1007249.ref009","doi-asserted-by":"crossref","first-page":"381","DOI":"10.3389\/fphar.2017.00381","article-title":"Innovating Chinese Herbal Medicine: From Traditional Health Practice to Scientific Drug Discovery","volume":"8","author":"S Gu","year":"2017","journal-title":"Front Pharmacol"},{"key":"pcbi.1007249.ref010","doi-asserted-by":"crossref","first-page":"30133","DOI":"10.1038\/srep30133","article-title":"Proteomics of hot-wet and cold-dry temperaments proposed in Iranian traditional medicine: a Network-based Study","volume":"6","author":"H Rezadoost","year":"2016","journal-title":"Sci Rep"},{"issue":"4","key":"pcbi.1007249.ref011","doi-asserted-by":"crossref","first-page":"250","DOI":"10.1159\/000366118","article-title":"Proteomics and traditional medicine: new aspect in explanation of temperaments","volume":"21","author":"M Jafari","year":"2014","journal-title":"Complement Med Res"},{"issue":"10","key":"pcbi.1007249.ref012","doi-asserted-by":"crossref","first-page":"1141","DOI":"10.1016\/j.mayocp.2013.06.009","volume":"88","author":"TY Chon","year":"2013","journal-title":"Acupuncture Mayo Clinic proceedings"},{"issue":"2","key":"pcbi.1007249.ref013","doi-asserted-by":"crossref","first-page":"e60508","DOI":"10.5812\/ircmj.60508","article-title":"Traditional Dry Cupping Therapy Versus Medroxyprogesterone Acetate in the Treatment of Idiopathic Menorrhagia: A Randomized Controlled Trial","volume":"20","author":"M Azizkhani","year":"2018","journal-title":"Iran Red Crescent Med J"},{"issue":"1","key":"pcbi.1007249.ref014","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/S2005-2901(10)60001-5","article-title":"Meridian studies in China: a systematic review","volume":"3","author":"G Wang","year":"2010","journal-title":"J Acupunct Meridian Stud"},{"issue":"2","key":"pcbi.1007249.ref015","doi-asserted-by":"crossref","first-page":"67","DOI":"10.1016\/S2005-2901(10)60014-3","article-title":"Defining meridians: a modern basis of understanding","volume":"3","author":"JC Longhurst","year":"2010","journal-title":"J Acupunct Meridian Stud"},{"key":"pcbi.1007249.ref016","first-page":"6","article-title":"Review of evidence suggesting that the fascia network could be the anatomical basis for acupoints and meridians in the human body","volume":"2011","author":"Y Bai","year":"2011","journal-title":"Evid Based Complement Alternat Med"},{"issue":"6","key":"pcbi.1007249.ref017","doi-asserted-by":"crossref","first-page":"851","DOI":"10.1089\/107555303771952208","article-title":"Perivascular space: possible anatomical substrate for the meridian","volume":"9","author":"W Ma","year":"2003","journal-title":"Journal of alternative and complementary medicine"},{"key":"pcbi.1007249.ref018","first-page":"8","article-title":"Anti-inflammatory effects of 81 Chinese herb extracts and their correlation with the characteristics of traditional Chinese medicine","volume":"2014","author":"C Chen","year":"2014","journal-title":"Evid Based Complement Alternat Med"},{"key":"pcbi.1007249.ref019","first-page":"048","article-title":"General Medication Rules in Treating Spleen-stomach Disharmony Based on Traditional Chinese Medicine Inheritance Platform","volume":"1","author":"Z Jie","year":"2016","journal-title":"World Chinese Medicine"},{"key":"pcbi.1007249.ref020","first-page":"225","volume-title":"Herbal Medicines","author":"Springer","year":"2016"},{"issue":"05","key":"pcbi.1007249.ref021","doi-asserted-by":"crossref","first-page":"967","DOI":"10.1142\/S0192415X09007375","article-title":"A study on the antioxidant activity and tissues selective inhibition of lipid peroxidation by saponins from the roots of Platycodon grandiflorum","volume":"37","author":"X Fu","year":"2009","journal-title":"Am J Chin Med"},{"issue":"1","key":"pcbi.1007249.ref022","doi-asserted-by":"crossref","first-page":"133","DOI":"10.1002\/med.20077","article-title":"New developments in the chemistry and biology of the bioactive constituents of Tanshen","volume":"27","author":"X Wang","year":"2007","journal-title":"Med Res Rev"},{"key":"pcbi.1007249.ref023","doi-asserted-by":"crossref","first-page":"802","DOI":"10.1038\/aps.2017.193","article-title":"Salvia miltiorrhiza Burge (Danshen): A golden herbal medicine in cardiovascular therapeutics","volume":"39","author":"Z Li","year":"2018","journal-title":"Acta Pharmacol Sin"},{"issue":"5","key":"pcbi.1007249.ref024","doi-asserted-by":"crossref","first-page":"710","DOI":"10.1093\/bib\/bbt035","article-title":"Systems pharmacology in drug discovery and therapeutic insight for herbal medicines","volume":"15","author":"C Huang","year":"2013","journal-title":"Brief Bioinform"},{"issue":"4","key":"pcbi.1007249.ref025","doi-asserted-by":"crossref","first-page":"538","DOI":"10.1016\/S0254-6272(16)30072-3","article-title":"Information integration research on cumulative effect of \u2018Siqi, Wuwei, and Guijing\u2019in Traditional Chinese Medicine","volume":"36","author":"X Yang","year":"2016","journal-title":"J Tradit Chin Med"},{"issue":"1","key":"pcbi.1007249.ref026","doi-asserted-by":"crossref","first-page":"1197","DOI":"10.1038\/s41467-019-09186-x","article-title":"Network-based prediction of drug combinations","volume":"10","author":"F Cheng","year":"2019","journal-title":"Nat Commun"},{"issue":"6","key":"pcbi.1007249.ref027","first-page":"1153","article-title":"In silico polypharmacology of natural products","volume":"19","author":"J Fang","year":"2017","journal-title":"Brief Bioinform"},{"issue":"3","key":"pcbi.1007249.ref028","doi-asserted-by":"crossref","first-page":"468","DOI":"10.1021\/acs.jcim.6b00725","article-title":"Toward understanding the cold, hot, and neutral nature of Chinese Medicines using in silico mode-of-action analysis","volume":"57","author":"X Fu","year":"2017","journal-title":"J Chem Inf Model"},{"issue":"3\u20104","key":"pcbi.1007249.ref029","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1002\/minf.201500115","article-title":"Classification of Mixtures of Chinese Herbal Medicines Based on a Self\u2010Organizing Map (SOM)","volume":"35","author":"M Wang","year":"2016","journal-title":"Mol Inform"},{"key":"pcbi.1007249.ref030","first-page":"069","article-title":"Effects of Huoxiang Zhengqi Liquid on Expression of ZO-1 in Ileum Mucosa of Rats with Dampness Retention Syndrome","volume":"16","author":"X Xue","year":"2011","journal-title":"Chinese Journal of Experimental Traditional Medical Formulae"},{"key":"pcbi.1007249.ref031","first-page":"392","article-title":"Pharmacopoeia of the People\u2019s Republic of China","volume":"1","author":"NP Committee","year":"2010","journal-title":"Part"},{"issue":"4","key":"pcbi.1007249.ref032","doi-asserted-by":"crossref","first-page":"316","DOI":"10.1198\/000313002533","article-title":"Corrgrams: Exploratory displays for correlation matrices","volume":"56","author":"M Friendly","year":"2002","journal-title":"Am Stat"},{"issue":"231","key":"pcbi.1007249.ref033","first-page":"11","volume":"230","author":"T Wei","year":"2013","journal-title":"corrplot: Visualization of a correlation matrix"},{"key":"pcbi.1007249.ref034","unstructured":"Niwattanakul S, Singthongchai J, Naenudorn E, Wanapu S. Using of Jaccard coefficient for keywords similarity. Proceedings of the International MultiConference of Engineers and Computer Scientists2013. p. 380\u20134."},{"issue":"1","key":"pcbi.1007249.ref035","doi-asserted-by":"crossref","first-page":"319","DOI":"10.1186\/s12859-015-0755-1","article-title":"Interlog protein network: an evolutionary benchmark of protein interaction networks for the evaluation of clustering algorithms","volume":"16","author":"M Jafari","year":"2015","journal-title":"BMC Bioinformatics"},{"issue":"3","key":"pcbi.1007249.ref036","doi-asserted-by":"crossref","first-page":"307","DOI":"10.1002\/mas.21529","article-title":"Mass spectrometry\u2010driven drug discovery for development of herbal medicine","volume":"37","author":"A Zhang","year":"2018","journal-title":"Mass Spectrom Rev"},{"key":"pcbi.1007249.ref037","doi-asserted-by":"crossref","first-page":"97","DOI":"10.1007\/978-3-0348-7105-1_5","volume-title":"Progress in Drug Research\/Fortschritte Der Arzneimittelforschung\/Progr\u00e8s Des Recherches Pharmaceutiques","author":"H Kubinyi","year":"1979"},{"issue":"9","key":"pcbi.1007249.ref038","doi-asserted-by":"crossref","first-page":"763","DOI":"10.1093\/bioinformatics\/17.9.763","article-title":"Details of the adjusted rand index and clustering algorithms, supplement to the paper an empirical study on principal component analysis for clustering gene expression data","volume":"17","author":"KY Yeung","year":"2001","journal-title":"Bioinformatics"},{"issue":"6","key":"pcbi.1007249.ref039","doi-asserted-by":"crossref","first-page":"531","DOI":"10.1038\/nchem.2479","article-title":"Counting on natural products for drug design","volume":"8","author":"T Rodrigues","year":"2016","journal-title":"Nat Chem"},{"issue":"7378","key":"pcbi.1007249.ref040","doi-asserted-by":"crossref","first-page":"S90","DOI":"10.1038\/480S90a","article-title":"Modernization: One step at a time","volume":"480","author":"X Z","year":"2011","journal-title":"Nature"},{"issue":"9","key":"pcbi.1007249.ref041","doi-asserted-by":"crossref","first-page":"852","DOI":"10.1056\/NEJMsa1012065","article-title":"The ClinicalTrials. gov results database\u2014update and key issues","volume":"364","author":"DA Zarin","year":"2011","journal-title":"The New England journal of medicine"},{"key":"pcbi.1007249.ref042","first-page":"9","article-title":"Developing traditional Chinese medicine in the era of evidence-based medicine: current evidences and challenges","volume":"2015","author":"FY Fung","year":"2015","journal-title":"Evid Based Complement Alternat Med"},{"key":"pcbi.1007249.ref043","doi-asserted-by":"crossref","first-page":"22474","DOI":"10.1038\/srep22474","article-title":"Gut microbiota-involved mechanisms in enhancing systemic exposure of ginsenosides by coexisting polysaccharides in ginseng decoction","volume":"6","author":"S-S Zhou","year":"2016","journal-title":"Sci Rep"},{"issue":"6","key":"pcbi.1007249.ref044","doi-asserted-by":"crossref","first-page":"1067","DOI":"10.1093\/bioinformatics\/bty707","article-title":"admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties","volume":"35","author":"H Yang","year":"2018","journal-title":"Bioinformatics"},{"issue":"11","key":"pcbi.1007249.ref045","doi-asserted-by":"crossref","first-page":"3099","DOI":"10.1021\/ci300367a","article-title":"admetSAR: a comprehensive source and free tool for assessment of chemical ADMET properties","volume":"52","author":"F Cheng","year":"2012","journal-title":"J Chem Inf Model"},{"issue":"1","key":"pcbi.1007249.ref046","doi-asserted-by":"crossref","first-page":"20","DOI":"10.1186\/s13020-018-0177-x","article-title":"Techniques for extraction and isolation of natural products: a comprehensive review","volume":"13","author":"Q Zhang","year":"2018","journal-title":"Chinese medicine"},{"issue":"6","key":"pcbi.1007249.ref047","doi-asserted-by":"crossref","first-page":"1947","DOI":"10.1021\/ci034160g","article-title":"Random forest: a classification and regression tool for compound classification and QSAR modeling","volume":"43","author":"V Svetnik","year":"2003","journal-title":"J Chem Inf Comput Sci"},{"issue":"1","key":"pcbi.1007249.ref048","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1002\/minf.201501008","article-title":"Deep learning in drug discovery","volume":"35","author":"E Gawehn","year":"2016","journal-title":"Mol Inform"},{"key":"pcbi.1007249.ref049","doi-asserted-by":"crossref","first-page":"273","DOI":"10.1007\/BF00994018","article-title":"Support vector networks","volume":"20","author":"C Cortes","year":"1995","journal-title":"Mach Learn"},{"key":"pcbi.1007249.ref050","volume-title":"C4. 5: programs for machine learning","author":"JR Quinlan","year":"2014"},{"issue":"3","key":"pcbi.1007249.ref051","first-page":"18","article-title":"Classification and regression by random","volume":"2","author":"A Liaw","year":"2002","journal-title":"Forest"},{"issue":"1","key":"pcbi.1007249.ref052","doi-asserted-by":"crossref","first-page":"5","DOI":"10.1023\/A:1010933404324","article-title":"Random forests","volume":"45","author":"L Breiman","year":"2001","journal-title":"Mach Learn"},{"key":"pcbi.1007249.ref053","unstructured":"Zhang H, Berg AC, Maire M, Malik J, editors. SVM-KNN: Discriminative nearest neighbor classification for visual category recognition. Computer Vision and Pattern Recognition, 2006 IEEE Computer Society Conference on; 2006: IEEE."},{"issue":"D1","key":"pcbi.1007249.ref054","doi-asserted-by":"crossref","first-page":"D1117","DOI":"10.1093\/nar\/gkx1028","article-title":"TCMID 2.0: a comprehensive resource for TCM","volume":"46","author":"L Huang","year":"2017","journal-title":"Nucleic acids research"},{"issue":"1","key":"pcbi.1007249.ref055","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1186\/1758-2946-3-33","article-title":"Open Babel: An open chemical toolbox","volume":"3","author":"NM O'Boyle","year":"2011","journal-title":"J Cheminform"},{"issue":"7","key":"pcbi.1007249.ref056","doi-asserted-by":"crossref","first-page":"1466","DOI":"10.1002\/jcc.21707","article-title":"PaDEL\u2010descriptor: An open source software to calculate molecular descriptors and fingerprints","volume":"32","author":"CW Yap","year":"2011","journal-title":"J Comput Chem"},{"issue":"1","key":"pcbi.1007249.ref057","doi-asserted-by":"crossref","first-page":"401","DOI":"10.1186\/1471-2105-9-401","article-title":"Developing and validating predictive decision tree models from mining chemical structural fingerprints and high\u2013throughput screening data in PubChem","volume":"9","author":"L Han","year":"2008","journal-title":"J BMC bioinformatics"},{"issue":"6","key":"pcbi.1007249.ref058","doi-asserted-by":"crossref","first-page":"1273","DOI":"10.1021\/ci010132r","article-title":"Reoptimization of MDL keys for use in drug discovery","volume":"42","author":"JL Durant","year":"2002","journal-title":"J Chem Inf Comput Sci"},{"issue":"6","key":"pcbi.1007249.ref059","doi-asserted-by":"crossref","first-page":"1039","DOI":"10.1021\/ci00028a014","article-title":"Electrotopological state indices for atom types: a novel combination of electronic, topological, and valence state information","volume":"35","author":"LH Hall","year":"1995","journal-title":"J Chem Inf Comput Sci"},{"issue":"5","key":"pcbi.1007249.ref060","doi-asserted-by":"crossref","first-page":"742","DOI":"10.1021\/ci100050t","article-title":"Extended-connectivity fingerprints","volume":"50","author":"D Rogers","year":"2010","journal-title":"J Chem Inf Model"},{"key":"pcbi.1007249.ref061","unstructured":"http:\/\/www.daylight.com\/dayhtml\/doc\/theory\/theory.smarts.html."},{"issue":"1\u20133","key":"pcbi.1007249.ref062","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-409X(96)00423-1","article-title":"Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings","volume":"23","author":"CA Lipinski","year":"1997","journal-title":"Adv Drug Deliv Rev"},{"key":"pcbi.1007249.ref063","doi-asserted-by":"crossref","first-page":"42717","DOI":"10.1038\/srep42717","article-title":"SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules","volume":"7","author":"A Daina","year":"2017","journal-title":"Sci Rep"},{"issue":"3","key":"pcbi.1007249.ref064","doi-asserted-by":"crossref","first-page":"1000","DOI":"10.1021\/ci034243x","article-title":"ESOL: estimating aqueous solubility directly from molecular structure","volume":"44","author":"JS Delaney","year":"2004","journal-title":"J Chem Inf Comput Sci"},{"issue":"2","key":"pcbi.1007249.ref065","doi-asserted-by":"crossref","first-page":"420","DOI":"10.1021\/ci200387c","article-title":"Revisiting the General Solubility Equation: In Silico Prediction of Aqueous Solubility Incorporating the Effect of Topographical Polar Surface Area","volume":"52","author":"J Ali","year":"2012","journal-title":"J Chem Inf Model"},{"issue":"3","key":"pcbi.1007249.ref066","doi-asserted-by":"crossref","first-page":"296","DOI":"10.5455\/jice.20170709031835","article-title":"Isolation, characterization and in silico docking studies of synergistic estrogen receptor a anticancer polyphenols from Syzygium alternifolium (Wt.) Walp","volume":"6","author":"P Yugandhar","year":"2017","journal-title":"J Intercult Ethnopharmacol"},{"issue":"4","key":"pcbi.1007249.ref067","doi-asserted-by":"crossref","first-page":"319","DOI":"10.2174\/1573409913666170406145607","article-title":"An Integrated Computational Approach for Plant-Based Protein Tyrosine Phosphatase Non-Receptor Type 1 Inhibitors","volume":"13","author":"S Bibi","year":"2017","journal-title":"Curr Comput Aided Drug Des"},{"key":"pcbi.1007249.ref068","doi-asserted-by":"crossref","first-page":"841","DOI":"10.3389\/fphar.2018.00841","article-title":"System pharmacology-based strategy to decode the synergistic mechanism of Zhi-zhu Wan for functional dyspepsia","volume":"9","author":"C Wang","year":"2018","journal-title":"Front Pharmacol"},{"issue":"9","key":"pcbi.1007249.ref069","doi-asserted-by":"crossref","first-page":"3902","DOI":"10.1021\/acs.jmedchem.7b00204","article-title":"Prediction of antibiotic interactions using descriptors derived from molecular structure","volume":"60","author":"DJ Mason","year":"2017","journal-title":"J Med Chem"},{"issue":"11","key":"pcbi.1007249.ref070","doi-asserted-by":"crossref","first-page":"6697","DOI":"10.1039\/C6RA25267B","article-title":"In silico prediction of serious eye irritation or corrosion potential of chemicals","volume":"7","author":"Q Wang","year":"2017","journal-title":"RSC Adv"},{"issue":"5","key":"pcbi.1007249.ref071","first-page":"1","article-title":"Caret package","volume":"28","author":"M Kuhn","year":"2008","journal-title":"J Stat Softw"},{"issue":"3","key":"pcbi.1007249.ref072","doi-asserted-by":"crossref","first-page":"249","DOI":"10.1016\/S0304-3800(02)00257-0","article-title":"Review and comparison of methods to study the contribution of variables in artificial neural network models","volume":"160","author":"M Gevrey","year":"2003","journal-title":"Ecol Modell"},{"issue":"5","key":"pcbi.1007249.ref073","doi-asserted-by":"crossref","first-page":"365","DOI":"10.1080\/1062936X.2013.773376","article-title":"Automatic knowledge extraction from chemical structures: the case of mutagenicity prediction","volume":"24","author":"T Ferrari","year":"2013","journal-title":"SAR QSAR Environ Res"}],"container-title":["PLOS Computational Biology"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/dx.plos.org\/10.1371\/journal.pcbi.1007249","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,11,25]],"date-time":"2019-11-25T13:24:50Z","timestamp":1574688290000},"score":1,"resource":{"primary":{"URL":"https:\/\/dx.plos.org\/10.1371\/journal.pcbi.1007249"}},"subtitle":[],"editor":[{"given":"Alexander","family":"MacKerell","sequence":"first","affiliation":[],"role":[{"role":"editor","vocabulary":"crossref"}]}],"short-title":[],"issued":{"date-parts":[[2019,11,25]]},"references-count":73,"journal-issue":{"issue":"11","published-online":{"date-parts":[[2019,11,25]]}},"URL":"https:\/\/doi.org\/10.1371\/journal.pcbi.1007249","relation":{"has-preprint":[{"id-type":"doi","id":"10.1101\/697037","asserted-by":"object"}]},"ISSN":["1553-7358"],"issn-type":[{"value":"1553-7358","type":"electronic"}],"subject":[],"published":{"date-parts":[[2019,11,25]]}}}