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Chemosphere(2)
Current Topics in Medicinal Chemistry(1)
Environmental Toxicology and Pharmacology(1)
Journal of Molecular Graphics and Modelling(1)
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Farmacología y terapéutica(2)
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Atom-based stochastic and non-stochastic 3D-chiral bilinear indices and their applications to central chirality codification
ArticleAbstract: Non-stochastic and stochastic 2D bilinear indices have been generalized to codify chemical structurePalabras claves:3D-QSAR, Angiotensin-converting enzyme inhibitor, Discriminant analysis, multiple linear regression, Non-stochastic and stochastic 3D-chiral bilinear indices, Steroid binding affinity, σ-Receptor antagonistAutores:Garit J., Rotondo R., Torrens F., Yovani Marrero-PonceFuentes:googlescopusA novel approach to pbkp_redict aquatic toxicity from molecular structure
ArticleAbstract: The main aim of the study was to develop quantitative structure-activity relationship (QSAR) modelsPalabras claves:Atom-based non-stochastic and stochastic linear index, multiple linear regression, Program TOMOCOMD-CARDD, QSAR, Tetrahymena pyriformisAutores:Escobar J., Garit J., Rotondo R., Torrens F., Yovani Marrero-PonceFuentes:googlescopusPbkp_rediction of acute toxicity of phenol derivatives using multiple linear regression approach for Tetrahymena pyriformis contaminant identification in a median-size database
ArticleAbstract: In this article, the modeling of inhibitory grown activity against Tetrahymena pyriformis is describPalabras claves:CHEMBL, dragon descriptor, multiple linear regression, Phenol, QSTR, Tetrahymena pyriformisAutores:Garit J., Gerardo M. Casañola-Martin, Karel Diéguez-Santana, Pham-The H., Thu H.L.T., Villegas-Aguilar P.J.Fuentes:googlescopusPbkp_rediction of aquatic toxicity of benzene derivatives using molecular descriptor from atomic weighted vectors
ArticleAbstract: Several descriptors from atom weighted vectors are used in the pbkp_rediction of aquatic toxicity ofPalabras claves:aggregation operator, Aquatic toxicity, Atom weighted vector, molecular descriptor, multiple linear regression, Variability analysisAutores:Garit J., Green J.R., Oscar Martínez Santiago, Stephen Jones Barigye, Yoan Martínez López, Yovani Marrero-PonceFuentes:scopusState of the art review and report of new tool for drug discovery
ReviewAbstract: Background: There are a great number of tools that can be used in QSAR/QSPR studies; they are implemPalabras claves:aggregation, Atomic weighted vector, multiple linear regression, Operator, principal components analysis, QSAR, variabilityAutores:Caballero Y., Garit J., Millán-Cabrera R., Quintana J.M., Stephen Jones Barigye, Torrens F., Yoan Martínez López, Yovani Marrero-PonceFuentes:scopus