{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,16]],"date-time":"2026-02-16T17:00:04Z","timestamp":1771261204346,"version":"3.50.1"},"update-to":[{"DOI":"10.1371\/journal.pcbi.1007025","type":"new_version","label":"New version","source":"publisher","updated":{"date-parts":[[2020,2,28]],"date-time":"2020-02-28T00:00:00Z","timestamp":1582848000000}}],"reference-count":69,"publisher":"Public Library of Science (PLoS)","issue":"2","license":[{"start":{"date-parts":[[2020,2,18]],"date-time":"2020-02-18T00:00:00Z","timestamp":1581984000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","doi-asserted-by":"publisher","award":["400760\/2014-2"],"award-info":[{"award-number":["400760\/2014-2"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"Funda\u00e7\u00e3o de Amparo \u00e0 Pesquisa do Estado de S\u00e3o Paulo","doi-asserted-by":"publisher","award":["2012\/16525-2; 2017\/02353-9"],"award-info":[{"award-number":["2012\/16525-2; 2017\/02353-9"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"Funda\u00e7\u00e3o de Amparo \u00e0 Pesquisa do Estado de S\u00e3o Paulo","doi-asserted-by":"publisher","award":["2015\/20774-6"],"award-info":[{"award-number":["2015\/20774-6"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000002","name":"National Institutes of Health","doi-asserted-by":"publisher","award":["1U01CA207160"],"award-info":[{"award-number":["1U01CA207160"]}],"id":[{"id":"10.13039\/100000002","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100007081","name":"Fondation L\u2019Or\u00e9al","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100007081","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.1007025","type":"journal-article","created":{"date-parts":[[2020,2,18]],"date-time":"2020-02-18T18:40:53Z","timestamp":1582051253000},"page":"e1007025","update-policy":"https:\/\/doi.org\/10.1371\/journal.pcbi.corrections_policy","source":"Crossref","is-referenced-by-count":54,"title":["Deep Learning-driven research for drug discovery: Tackling Malaria"],"prefix":"10.1371","volume":"16","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1309-8743","authenticated-orcid":true,"given":"Bruno J.","family":"Neves","sequence":"first","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3814-3464","authenticated-orcid":true,"given":"Rodolpho C.","family":"Braga","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6182-1748","authenticated-orcid":true,"given":"Vinicius M.","family":"Alves","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7394-0031","authenticated-orcid":true,"given":"Mar\u00edlia N. N.","family":"Lima","sequence":"additional","affiliation":[]},{"given":"Gustavo C.","family":"Cassiano","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4616-7036","authenticated-orcid":true,"given":"Eugene N.","family":"Muratov","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9969-7300","authenticated-orcid":true,"given":"Fabio T. M.","family":"Costa","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0101-1492","authenticated-orcid":true,"given":"Carolina Horta","family":"Andrade","sequence":"additional","affiliation":[]}],"member":"340","published-online":{"date-parts":[[2020,2,18]]},"reference":[{"key":"pcbi.1007025.ref001","doi-asserted-by":"crossref","unstructured":"World Health Organization, WHO, Phillips MA, Burrows JN, Manyando C, van Huijsduijnen RH, et al. Malaria. In: Nature Reviews Disease Primers [Internet]. Aug 2017 [cited 3 Nov 2017] pp. 1\u201324. doi: 10.1038\/nrdp.2017.50","DOI":"10.1038\/nrdp.2017.50"},{"key":"pcbi.1007025.ref002","doi-asserted-by":"crossref","first-page":"1608","DOI":"10.1016\/S0140-6736(18)30324-6","article-title":"Malaria","volume":"391","author":"EA Ashley","year":"2018","journal-title":"Lancet"},{"key":"pcbi.1007025.ref003","doi-asserted-by":"crossref","first-page":"17050","DOI":"10.1038\/nrdp.2017.50","article-title":"Malaria","volume":"3","author":"MA Phillips","year":"2017","journal-title":"Nat Rev Dis Prim"},{"key":"pcbi.1007025.ref004","doi-asserted-by":"crossref","first-page":"145","DOI":"10.1016\/j.ijpara.2016.08.002","article-title":"Severe malaria: what\u2019s new on the pathogenesis front?","volume":"47","author":"SC Wassmer","year":"2017","journal-title":"Int J Parasitol"},{"key":"pcbi.1007025.ref005","doi-asserted-by":"crossref","first-page":"770","DOI":"10.1086\/322858","article-title":"Chloroquine\u2010Resistant Malaria","volume":"184","author":"TE Wellems","year":"2001","journal-title":"J Infect Dis"},{"key":"pcbi.1007025.ref006","doi-asserted-by":"crossref","first-page":"704","DOI":"10.1046\/j.1365-2958.1999.01515.x","article-title":"Resistance mutations reveal the atovaquone-binding domain of cytochrome b in malaria parasites","volume":"33","author":"IK Srivastava","year":"1999","journal-title":"Mol Microbiol"},{"key":"pcbi.1007025.ref007","doi-asserted-by":"crossref","first-page":"1130","DOI":"10.1073\/pnas.93.3.1130","article-title":"Transformation of Plasmodium falciparum malaria parasites by homologous integration of plasmids that confer resistance to pyrimethamine","volume":"93","author":"Y Wu","year":"1996","journal-title":"Proc Natl Acad Sci U S A"},{"key":"pcbi.1007025.ref008","doi-asserted-by":"crossref","first-page":"3807","DOI":"10.1093\/emboj\/17.14.3807","article-title":"Allelic exchange at the endogenous genomic locus in Plasmodium falciparum proves the role of dihydropteroate synthase in sulfadoxine-resistant malaria","volume":"17","author":"T Triglia","year":"1998","journal-title":"EMBO J"},{"key":"pcbi.1007025.ref009","doi-asserted-by":"crossref","first-page":"10","DOI":"10.1186\/1475-2875-8-10","article-title":"Failure of artesunate-mefloquine combination therapy for uncomplicated Plasmodium falciparum malaria in southern Cambodia","volume":"8","author":"WO Rogers","year":"2009","journal-title":"Malar J"},{"key":"pcbi.1007025.ref010","doi-asserted-by":"crossref","first-page":"411","DOI":"10.1056\/NEJMoa1314981","article-title":"Spread of Artemisinin Resistance in Plasmodium falciparum Malaria","volume":"371","author":"EA Ashley","year":"2014","journal-title":"N Engl J Med"},{"key":"pcbi.1007025.ref011","doi-asserted-by":"crossref","first-page":"914","DOI":"10.1128\/AAC.01868-12","article-title":"Reduced Artemisinin Susceptibility of Plasmodium falciparum Ring Stages in Western Cambodia","volume":"57","author":"B Witkowski","year":"2013","journal-title":"Antimicrob Agents Chemother"},{"key":"pcbi.1007025.ref012","doi-asserted-by":"crossref","first-page":"26","DOI":"10.1186\/s12936-016-1675-x","article-title":"New developments in anti-malarial target candidate and product profiles","volume":"16","author":"JN Burrows","year":"2017","journal-title":"Malar J"},{"key":"pcbi.1007025.ref013","doi-asserted-by":"crossref","first-page":"97","DOI":"10.1038\/nrd.2017.232","article-title":"Automating drug discovery","volume":"17","author":"G. Schneider","year":"2017","journal-title":"Nat Rev Drug Discov"},{"key":"pcbi.1007025.ref014","doi-asserted-by":"crossref","first-page":"476","DOI":"10.1002\/minf.201000061","article-title":"Best Practices for QSAR Model Development, Validation, and Exploitation","volume":"29","author":"A. Tropsha","year":"2010","journal-title":"Mol Inform"},{"key":"pcbi.1007025.ref015","doi-asserted-by":"crossref","first-page":"4977","DOI":"10.1021\/jm4004285","article-title":"QSAR modeling: where have you been? Where are you going to?","volume":"57","author":"A Cherkasov","year":"2014","journal-title":"J Med Chem"},{"key":"pcbi.1007025.ref016","doi-asserted-by":"crossref","first-page":"1616","DOI":"10.1021\/ja01062a035","article-title":"p -\u03c3-\u03c0 Analysis. A Method for the Correlation of Biological Activity and Chemical Structure","volume":"86","author":"C Hansch","year":"1964","journal-title":"J Am Chem Soc"},{"key":"pcbi.1007025.ref017","doi-asserted-by":"crossref","first-page":"5959","DOI":"10.1021\/ja00226a005","article-title":"Comparative Molecular Field Analysis (CoMFA). 1. Effect of Shape on Binding of Steroids to Carrier Proteins","volume":"110","author":"RD Cramer","year":"1988","journal-title":"J Am Chem Soc"},{"key":"pcbi.1007025.ref018","first-page":"598","article-title":"Quantitative structure-activity relationships. VI. Non-linear dependence of biological activity on hydrophobic character: calculation procedures for bilinear mode","volume":"28","author":"H Kubinyi","year":"1978","journal-title":"Arzneimittelforschung"},{"key":"pcbi.1007025.ref019","doi-asserted-by":"crossref","first-page":"3314","DOI":"10.1021\/jm970666c","article-title":"Can We Learn To Distinguish between \u201cDrug-like\u201d and \u201cNondrug-like\u201d Molecules?","volume":"41","author":"Walters WP Ajay","year":"1998","journal-title":"J Med Chem"},{"key":"pcbi.1007025.ref020","doi-asserted-by":"crossref","first-page":"3183","DOI":"10.1021\/jm980697n","article-title":"Robust QSAR models using bayesian regularized neural networks","volume":"42","author":"FR Burden","year":"1999","journal-title":"J Med Chem"},{"key":"pcbi.1007025.ref021","doi-asserted-by":"crossref","first-page":"10785","DOI":"10.1021\/jf8022194","article-title":"Prediction of fungicidal activities of rice blast disease based on least-squares support vector machines and project pursuit regression","volume":"56","author":"H Du","year":"2008","journal-title":"J Agric Food Chem"},{"key":"pcbi.1007025.ref022","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"},{"key":"pcbi.1007025.ref023","doi-asserted-by":"crossref","first-page":"262","DOI":"10.1016\/j.taap.2014.12.014","article-title":"Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds","volume":"284","author":"VM Alves","year":"2015","journal-title":"Toxicol Appl Pharmacol"},{"key":"pcbi.1007025.ref024","doi-asserted-by":"crossref","first-page":"273","DOI":"10.1016\/j.taap.2014.12.013","article-title":"Predicting chemically-induced skin reactions. Part II: QSAR models of skin permeability and the relationships between skin permeability and skin sensitization","volume":"284","author":"VM Alves","year":"2015","journal-title":"Toxicol Appl Pharmacol"},{"key":"pcbi.1007025.ref025","doi-asserted-by":"crossref","first-page":"D1100","DOI":"10.1093\/nar\/gkr777","article-title":"ChEMBL: a large-scale bioactivity database for drug discovery","volume":"40","author":"A Gaulton","year":"2012","journal-title":"Nucleic Acids Res"},{"key":"pcbi.1007025.ref026","doi-asserted-by":"crossref","first-page":"D400","DOI":"10.1093\/nar\/gkr1132","article-title":"PubChem\u2019s BioAssay Database","volume":"40","author":"Y Wang","year":"2012","journal-title":"Nucleic Acids Res"},{"key":"pcbi.1007025.ref027","doi-asserted-by":"crossref","first-page":"1899","DOI":"10.2174\/1568026614666140929120749","article-title":"Virtual screening strategies in medicinal chemistry: the state of the art and current challenges","volume":"14","author":"RC Braga","year":"2014","journal-title":"Curr Top Med Chem"},{"key":"pcbi.1007025.ref028","doi-asserted-by":"crossref","first-page":"1399","DOI":"10.2174\/1568026614666140506124442","article-title":"Tuning HERG out: antitarget QSAR models for drug development","volume":"14","author":"RC Braga","year":"2014","journal-title":"Curr Top Med Chem"},{"key":"pcbi.1007025.ref029","doi-asserted-by":"crossref","first-page":"7075","DOI":"10.1021\/acs.jmedchem.5b02038","article-title":"Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening","volume":"59","author":"BJ Neves","year":"2016","journal-title":"J Med Chem"},{"key":"pcbi.1007025.ref030","doi-asserted-by":"crossref","first-page":"1357","DOI":"10.1021\/acs.jcim.6b00055","article-title":"QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni","volume":"56","author":"CCCC Melo-Filho","year":"2016","journal-title":"J Chem Inf Model"},{"key":"pcbi.1007025.ref031","doi-asserted-by":"crossref","first-page":"146","DOI":"10.3389\/fphar.2018.00146","article-title":"QSAR-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities","volume":"9","author":"MNN Lima","year":"2018","journal-title":"Front Pharmacol"},{"key":"pcbi.1007025.ref032","doi-asserted-by":"crossref","first-page":"126","DOI":"10.1016\/j.ejmech.2017.05.026","article-title":"QSAR-driven design, synthesis and discovery of potent chalcone derivatives with antitubercular activity","volume":"137","author":"MN Gomes","year":"2017","journal-title":"Eur J Med Chem"},{"key":"pcbi.1007025.ref033","doi-asserted-by":"crossref","first-page":"1643","DOI":"10.1021\/tx500145h","article-title":"Big Data in Chemical Toxicity Research: The Use of High-Throughput Screening Assays To Identify Potential Toxicants","volume":"27","author":"H Zhu","year":"2014","journal-title":"Chem Res Toxicol"},{"key":"pcbi.1007025.ref034","doi-asserted-by":"crossref","first-page":"83","DOI":"10.14573\/altex.1603091","article-title":"Making big sense from big data in toxicology by read-across","volume":"33","author":"T. Hartung","year":"2016","journal-title":"ALTEX"},{"key":"pcbi.1007025.ref035","doi-asserted-by":"crossref","first-page":"2068","DOI":"10.1021\/acs.jcim.7b00146","article-title":"Is Multitask Deep Learning Practical for Pharma?","volume":"57","author":"B Ramsundar","year":"2017","journal-title":"J Chem Inf Model"},{"key":"pcbi.1007025.ref036","doi-asserted-by":"crossref","first-page":"2594","DOI":"10.1007\/s11095-016-2029-7","article-title":"The Next Era: Deep Learning in Pharmaceutical Research","author":"S. Ekins","year":"2016","journal-title":"Pharm Res"},{"key":"pcbi.1007025.ref037","doi-asserted-by":"crossref","first-page":"1291","DOI":"10.1002\/jcc.24764","article-title":"Deep learning for computational chemistry","volume":"38","author":"GB Goh","year":"2017","journal-title":"J Comput Chem"},{"key":"pcbi.1007025.ref038","doi-asserted-by":"crossref","first-page":"263","DOI":"10.1021\/ci500747n","article-title":"Deep Neural Nets as a Method for Quantitative Structure\u2013Activity Relationships","volume":"55","author":"J Ma","year":"2015","journal-title":"J Chem Inf Model"},{"key":"pcbi.1007025.ref039","doi-asserted-by":"crossref","first-page":"eaap7885","DOI":"10.1126\/sciadv.aap7885","article-title":"Deep reinforcement learning for de novo drug design","volume":"4","author":"M Popova","year":"2018","journal-title":"Sci Adv"},{"key":"pcbi.1007025.ref040","doi-asserted-by":"crossref","first-page":"268","DOI":"10.1021\/acscentsci.7b00572","article-title":"Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules","volume":"4","author":"R G\u00f3mez-Bombarelli","year":"2018","journal-title":"ACS Cent Sci"},{"key":"pcbi.1007025.ref041","doi-asserted-by":"crossref","first-page":"131","DOI":"10.3390\/biom8040131","article-title":"Improving Chemical Autoencoder Latent Space and Molecular De Novo Generation Diversity with Heteroencoders","volume":"8","author":"E Bjerrum","year":"2018","journal-title":"Biomolecules"},{"key":"pcbi.1007025.ref042","doi-asserted-by":"crossref","first-page":"751","DOI":"10.1038\/nrd4683","article-title":"Hit and lead criteria in drug discovery for infectious diseases of the developing world","volume":"14","author":"K Katsuno","year":"2015","journal-title":"Nat Rev Drug Discov"},{"key":"pcbi.1007025.ref043","first-page":"521","article-title":"The Synergism of Methods Barycentric Coordinates and Trend-vector for Solution \u2015Structure-Property Tasks","volume":"3","author":"N Vityuk","year":"1999","journal-title":"Pattern Recognit Image Anal"},{"key":"pcbi.1007025.ref044","doi-asserted-by":"crossref","first-page":"2615","DOI":"10.1021\/jm020017n","article-title":"Molecular properties that influence the oral bioavailability of drug candidates","volume":"45","author":"DF Veber","year":"2002","journal-title":"J Med Chem"},{"key":"pcbi.1007025.ref045","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.1007025.ref046","doi-asserted-by":"crossref","first-page":"7076","DOI":"10.1021\/acs.jmedchem.5b01105","article-title":"An Aggregation Advisor for Ligand Discovery","volume":"58","author":"JJ Irwin","year":"2015","journal-title":"J Med Chem"},{"key":"pcbi.1007025.ref047","doi-asserted-by":"crossref","first-page":"1429","DOI":"10.1021\/cb300189b","article-title":"Colloidal Aggregation Affects the Efficacy of Anticancer Drugs in Cell Culture","volume":"7","author":"SC Owen","year":"2012","journal-title":"ACS Chem Biol"},{"key":"pcbi.1007025.ref048","doi-asserted-by":"crossref","first-page":"45","DOI":"10.4018\/IJQSPR.2016010102","article-title":"Applicability Domain for QSAR Models","volume":"1","author":"D Gadaleta","year":"2016","journal-title":"Int J Quant Struct Relationships"},{"key":"pcbi.1007025.ref049","doi-asserted-by":"crossref","first-page":"155","DOI":"10.1177\/026119290503300209","article-title":"Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The report and recommendations of ECVAM Workshop 52","volume":"33","author":"TI Netzeva","year":"2005","journal-title":"Altern Lab Anim"},{"key":"pcbi.1007025.ref050","unstructured":"OECD principles for the validation, for regulatory purposes, of (Quantitative) Structure-Activity Relationship models. In: Organisation for Economic Cooperation and Development [Internet]. 2004 [cited 1 Oct 2015] pp. 1\u20132. Available: http:\/\/www.oecd.org\/chemicalsafety\/risk-assessment\/37849783.pdf"},{"key":"pcbi.1007025.ref051","doi-asserted-by":"crossref","first-page":"1784","DOI":"10.1016\/j.drudis.2018.06.016","article-title":"Neural network and deep-learning algorithms used in QSAR studies: merits and drawbacks","volume":"23","author":"F Ghasemi","year":"2018","journal-title":"Drug Discov Today"},{"key":"pcbi.1007025.ref052","doi-asserted-by":"crossref","first-page":"11901","DOI":"10.1038\/ncomms11901","article-title":"A broad analysis of resistance development in the malaria parasite","volume":"7","author":"VC Corey","year":"2016","journal-title":"Nat Commun"},{"key":"pcbi.1007025.ref053","doi-asserted-by":"crossref","first-page":"1189","DOI":"10.1021\/ci100176x","article-title":"Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research","volume":"50","author":"D Fourches","year":"2010","journal-title":"J Chem Inf Model"},{"key":"pcbi.1007025.ref054","doi-asserted-by":"crossref","first-page":"535","DOI":"10.1038\/nchembio.1881","article-title":"Curation of chemogenomics data","volume":"11","author":"D Fourches","year":"2015","journal-title":"Nat Chem Biol"},{"key":"pcbi.1007025.ref055","doi-asserted-by":"crossref","first-page":"1243","DOI":"10.1021\/acs.jcim.6b00129","article-title":"Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation","volume":"56","author":"D Fourches","year":"2016","journal-title":"J Chem Inf Model"},{"key":"pcbi.1007025.ref056","doi-asserted-by":"crossref","first-page":"175","DOI":"10.1080\/00031305.1992.10475879","article-title":"An introduction to kernel and nearest-neighbor nonparametric regression","volume":"46","author":"N. Altman","year":"1992","journal-title":"Am Stat"},{"key":"pcbi.1007025.ref057","doi-asserted-by":"crossref","first-page":"403","DOI":"10.1007\/s10822-008-9179-6","article-title":"Hierarchical QSAR technology based on the Simplex representation of molecular structure","volume":"22","author":"VE Kuz\u2019min","year":"2008","journal-title":"J Comput Aided Mol Des"},{"key":"pcbi.1007025.ref058","doi-asserted-by":"crossref","first-page":"191","DOI":"10.2174\/157340908785747465","article-title":"ISIDA\u2014Platform for Virtual Screening Based on Fragment and Pharmacophoric Descriptors","volume":"4","author":"A Varnek","year":"2008","journal-title":"Curr Comput Aided-Drug Des"},{"key":"pcbi.1007025.ref059","doi-asserted-by":"crossref","first-page":"26","DOI":"10.1186\/1758-2946-5-26","article-title":"Open-source platform to benchmark fingerprints for ligand-based virtual screening","volume":"5","author":"S Riniker","year":"2013","journal-title":"J Cheminform"},{"key":"pcbi.1007025.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.1007025.ref061","doi-asserted-by":"crossref","first-page":"107","DOI":"10.1021\/c160017a018","article-title":"The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service","volume":"5","author":"HL Morgan","year":"1965","journal-title":"J Chem Doc"},{"key":"pcbi.1007025.ref062","doi-asserted-by":"crossref","first-page":"47","DOI":"10.1002\/(SICI)1097-0290(199824)61:1<47::AID-BIT9>3.0.CO;2-Z","article-title":"Genetic optimization of combinatorial libraries","volume":"61","author":"A Gobbi","year":"1998","journal-title":"Biotechnol Bioeng"},{"key":"pcbi.1007025.ref063","doi-asserted-by":"crossref","first-page":"1669","DOI":"10.1021\/ci900115y","article-title":"Comments on the Definition of the Q 2 Parameter for QSAR Validation","volume":"49","author":"V Consonni","year":"2009","journal-title":"J Chem Inf Model"},{"key":"pcbi.1007025.ref064","doi-asserted-by":"crossref","first-page":"241","DOI":"10.1023\/A:1025386326946","article-title":"Rational selection of training and test sets for the development of validated QSAR models","volume":"17","author":"A Golbraikh","year":"2003","journal-title":"J Comput Aided Mol Des"},{"key":"pcbi.1007025.ref065","doi-asserted-by":"crossref","first-page":"3494","DOI":"10.2174\/138161207782794257","article-title":"redictive QSAR Modeling Workflow, Model Applicability Domains, and Virtual Screening","volume":"13","author":"A Tropsha","year":"2007","journal-title":"PCurr Pharm Des"},{"key":"pcbi.1007025.ref066","doi-asserted-by":"crossref","first-page":"673","DOI":"10.1126\/science.781840","article-title":"Human malaria parasites in continuous culture","volume":"193","author":"W Trager","year":"1976","journal-title":"Science"},{"key":"pcbi.1007025.ref067","doi-asserted-by":"crossref","first-page":"418","DOI":"10.2307\/3280287","article-title":"Synchronization of Plasmodium falciparum Erythrocytic Stages in Culture","volume":"65","author":"C Lambros","year":"1979","journal-title":"J Parasitol"},{"key":"pcbi.1007025.ref068","first-page":"122","volume-title":"Methods in Malaria Research","author":"CL Hartwig","year":"2013"},{"key":"pcbi.1007025.ref069","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1016\/0022-1759(83)90303-4","article-title":"Rapid colorimetric assay for cellular growth and survival: Application to proliferation and cytotoxicity assays","volume":"65","author":"T. Mosmann","year":"1983","journal-title":"J Immunol Methods"}],"updated-by":[{"DOI":"10.1371\/journal.pcbi.1007025","type":"new_version","label":"New version","source":"publisher","updated":{"date-parts":[[2020,2,28]],"date-time":"2020-02-28T00:00:00Z","timestamp":1582848000000}}],"container-title":["PLOS Computational Biology"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/dx.plos.org\/10.1371\/journal.pcbi.1007025","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,7,31]],"date-time":"2024-07-31T19:30:12Z","timestamp":1722454212000},"score":1,"resource":{"primary":{"URL":"https:\/\/dx.plos.org\/10.1371\/journal.pcbi.1007025"}},"subtitle":[],"editor":[{"given":"Quaid","family":"Morris","sequence":"first","affiliation":[]}],"short-title":[],"issued":{"date-parts":[[2020,2,18]]},"references-count":69,"journal-issue":{"issue":"2","published-online":{"date-parts":[[2020,2,18]]}},"URL":"https:\/\/doi.org\/10.1371\/journal.pcbi.1007025","relation":{"new_version":[{"id-type":"doi","id":"10.1371\/journal.pcbi.1007025","asserted-by":"object"}]},"ISSN":["1553-7358"],"issn-type":[{"value":"1553-7358","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,2,18]]}}}