title: A QSPR-like model for multilocus genotype networks of Fasciola hepatica in Northwest Spain.
abstract: Fasciola hepatica is a parasitic trematode that infects wild and domesticated mammals, particularly cattle and sheep, and causes significant economic losses to global livestock production. In the present study, we used codominant genetic markers to define and build, for the first time, complex genotype networks for F. hepatica isolated from cattle and sheep in NW Spain. We generated three types of random networks with a number of nodes and edges as close as possible to the observed networks, and we then calculated 14 node centrality measures for both observed and random networks. Finally, using Linear Discriminant Analysis (LDA) and these measures as inputs, we constructed a quantitative structure-property relationship (QSPR)-like model able to predict the propensity of a specific genotype of F. hepatica to infect different infrapopulations, farms and/or host species. The accuracy, sensitivity and specificity of the model were >90% for both training and cross-validation series. We also assessed the applicability domain of the model. This type of QSPR model is a potentially powerful tool for epidemiological studies and could be used to manage and prevent the spread of fasciolosis.
authors.affiliation: Laboratory of Parasitology, Department of Microbiology and Parasitology, Faculty of Pharmacy, University of Santiago de Compostela, Campus Vida, Santiago de Compostela 15782, Spain. Electronic address: severo.vazquez@usc.es.
authors.forename: Severo
authors.initials: S
authors.lastname: Vázquez-Prieto
authors.affiliation: Department of Organic Chemistry II, University of the Basque Country UPV/EHU, Leioa 48940, Spain; IKERBASQUE, Basque Foundation for Science, Bilbao 48011, Spain.. Electronic address: humberto.gonzalezdiaz@ehu.es.
authors.forename: Humberto
authors.initials: H
authors.lastname: González-Díaz
authors.affiliation: Laboratory of Parasitology, Department of Microbiology and Parasitology, Faculty of Pharmacy, University of Santiago de Compostela, Campus Vida, Santiago de Compostela 15782, Spain. Electronic address: mesperanza.paniagua@usc.es.
authors.forename: Esperanza
authors.initials: E
authors.lastname: Paniagua
authors.affiliation: Department of Genetics, Faculty of Biology, University of Santiago de Compostela, Campus Vida, Santiago de Compostela 15782, Spain. Electronic address: roman.vilas@usc.es.
authors.forename: Román
authors.initials: R
authors.lastname: Vilas
authors.affiliation: Laboratory of Parasitology, Department of Microbiology and Parasitology, Faculty of Pharmacy, University of Santiago de Compostela, Campus Vida, Santiago de Compostela 15782, Spain. Electronic address: fm.ubeira@usc.es.
authors.forename: Florencio M
authors.initials: FM
authors.lastname: Ubeira
mesh_terms: D000818:Animals; D002417:Cattle / Q000469:parasitology; D002418:Cattle Diseases / Q000469:parasitology; D005210:Fasciola hepatica / Q000235:genetics*; D053263:Gene Regulatory Networks; D056426:Genetic Loci; D005838:Genotype; D005843:Geography; D008954:Models, Biological; D021281:Quantitative Structure-Activity Relationship; D015203:Reproducibility of Results; D012756:Sheep / Q000469:parasitology; D012757:Sheep Diseases / Q000469:parasitology; D013030:Spain
keywords: Codominant genetic markers; Complex networks; Fasciolosis; Graph theory; Linear discriminant analysis