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SAR and QSAR in Environmental Research(2)
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scopus(4)
Conformation-dependent QSAR approach for the pbkp_rediction of inhibitory activity of bromodomain modulators
ArticleAbstract: Epigenetic drug discovery is a promising research field with growing interest in the scientific commPalabras claves:3D molecular descriptors, Applicability domain, Bromodomains, epigenetic drug discovery, QSAR, QuBiLS-MIDAS, ToMoCoMD-CARDDAutores:César R. García-Jacas, Martinez-Mayorga K., Medina-Franco J.L., Yovani Marrero-PonceFuentes:scopusGOWAWA Aggregation Operator-based Global Molecular Characterizations: Weighting Atom/bond Contributions (LOVIs/LOEIs) According to their Influence in the Molecular Encoding
ArticleAbstract: A different perspective to compute global weighted definitions of molecular descriptors from the conPalabras claves:3D molecular descriptors, Aggregation operators, data fusion, LOEIs, LOVIs, OWA aggregation operator, OWAWA aggregation operator, QuBiLS-MIDAS, WA aggregation operatorAutores:César R. García-Jacas, Cortés-Guzmán F., García-González L.A., José Suárez-Lezcano, Lisset Cabrera-Leyva, Yovani Marrero-PonceFuentes:scopusN-tuple topological/geometric cutoffs for 3D N-linear algebraic molecular codifications: variability, linear independence and QSAR analysis
ArticleAbstract: Novel N-tuple topological/geometric cutoffs to consider specific inter-atomic relations in the QuBiLPalabras claves:3D molecular descriptors, N-tuple molecular cutoffs, QSAR, QuBiLS-MIDAS, ToMoCoMD-CARDDAutores:César R. García-Jacas, Fernández-Castillo A., Hernández-Ortega T., Lisset Cabrera-Leyva, Stephen Jones Barigye, Yovani Marrero-PonceFuentes:scopusSmoothed Spherical Truncation based on Fuzzy Membership Functions: Application to the Molecular Encoding
ArticleAbstract: A novel spherical truncation method, based on fuzzy membership functions, is introduced to truncatePalabras claves:3D molecular descriptors, fuzzy membership degree, fuzzy membership functions, geometry matrix, neighborhood matrix, Principal Component Analysis, quantitative structure–activity relationships (QSAR), QuBiLS-MIDAS, spherical truncation, Variability analysisAutores:Brizuela C.A., César R. García-Jacas, José Suárez-Lezcano, Martinez-Rios F.O., Yovani Marrero-PonceFuentes:scopus