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Chemometrics and Cheminformatics in Aquatic Toxicology(1)
Environmental Toxicology and Pharmacology(1)
Molecular Diversity(1)
Proteins: Structure, Function and Bioinformatics(1)
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Bioquímica(2)
Ciencias de la computación(1)
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Programación informática, programas, datos, seguridad(1)
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scopus(4)
Computational strategies for the discovery of biological functions of health foods, nutraceuticals and cosmeceuticals: a review
ArticleAbstract: Scientific and consumer interest in healthy foods (also known as functional foods), nutraceuticals aPalabras claves:Cosmeceuticals, docking, Health foods, Machine learning, molecular dynamics, Nutraceuticals, QSARAutores:Carpio L.E., Gozalbes R., Sanz Y., Stephen Jones BarigyeFuentes:scopusAssessing the chemical-induced estrogenicity using in silico and in vitro methods
ArticleAbstract: Multiple substances are considered endocrine disrupting chemicals (EDCs). However, there is a signifPalabras claves:Endocrine disruptor, Estrogen receptor, Pbkp_redictive toxicology, Persistent organic pollutant, QSAR, Reporter gene assayAutores:Amber M., Connolly L., Gozalbes R., Jorge E.G., Stephen Jones BarigyeFuentes:scopusMachine Learning Approaches in Computational Toxicology Studies
Book PartAbstract: In the present world, the use of computational toxicity assessment techniques is highly encouraged aPalabras claves:classification, Clustering, computational toxicity, Decision Trees, deep learning, Dimensionality reduction, hierarchical clustering, K-Means, K-nearest neighbor, linear discriminant analysis, linear regression, logistic regression, Machine learning, Naïve Bayes, neural network, Principal Component Analysis, QSAR, random forest, regression, semi-supervised, Supervised, SUPPORT VECTOR MACHINES, unsupervisedAutores:Ambure P., Gozalbes R., Stephen Jones BarigyeFuentes:scopusPeptiDesCalculator: Software for computation of peptide descriptors. Definition, implementation and case studies for 9 bioactivity endpoints
ArticleAbstract: We present a novel Java-based program denominated PeptiDesCalculator for computing peptide descriptoPalabras claves:Antimicrobial, Machine learning, peptide, PeptiDesCalculatorAutores:Gómez-Ganau S., Gozalbes R., Serrano-Candelas E., Stephen Jones BarigyeFuentes:scopus