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Article(7)
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Journal of Steroid Biochemistry and Molecular Biology(2)
QSAR and Combinatorial Science(2)
Bioorganic and Medicinal Chemistry(1)
International Journal of Molecular Sciences(1)
Journal of Computational Chemistry(1)
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Farmacología y terapéutica(4)
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Chemometric and chemoinformatic analyses of anabolic and androgenic activities of testosterone and dihydrotestosterone analogues
ArticleAbstract: Pbkp_redictive quantitative structure-activity relationship (QSAR) models of anabolic and androgenicPalabras claves:Anabolic and androgenic activities, Genetic Algorithm, QSAR model, Quantum and physicochemical molecular descriptor, Testosterone and dihydrotestosterone steroid analoguesAutores:Alvarado Y.J., Alvarez-Ginarte Y.M., Caldera-Luzardo J., Crespo-Otero R., García-De La Vega J.M., Montero-Cabrera L.A., Noheda-Marin P., Ruíz-García J.A., Yovani Marrero-PonceFuentes:googlescopusAnabolic and androgenic activities of 19-nor-testosterone steroids: QSAR study using quantum and physicochemical molecular descriptors
ArticleAbstract: Quantitative structure-activity relationship (QSAR) study of 19-nor-testosterone steroids family wasPalabras claves:Anabolic activity, Androgenic activity, Physicochemical molecular descriptor, Quantitative Structure-Activity Relationship, Quantum molecular descriptor, Testosterone family and cluster analysisAutores:Alvarez-Ginarte Y.M., García-De La Vega J.M., Montero-Cabrera L.A., Noheda-Marin P., Ruíz-García J.A., Yovani Marrero-PonceFuentes:googlescopusA novel in-silico approach for QSAR studies of anabolic and androgenic activities in the 17β-hydroxy-5α-androstane steroid family
ArticleAbstract: Pbkp_redictive Quantitative Structure-Activity Relationship (QSAR) models of anabolic and androgenicPalabras claves:Genetic Algorithms, Levator ani muscle, Quantitative Structure-Activity Relationship, Seminal vesicle, Ventral prostateAutores:Alonso-Becerra E., Alvarez-Ginarte Y.M., Crespo-Otero R., Montero-Cabrera L.A., Pardillo-Fontdevila E., Ruíz-García J.A., Santana R., Yovani Marrero-PonceFuentes:googlescopusApplying pattern recognition methods plus quantum and physico-chemical molecular descriptors to analyze the anabolic activity of structurally diverse steroids
ArticleAbstract: The great cost associated with the development of new anabolic-androgenic steroid (AASs) makes necesPalabras claves:Anabolic-androgenic ratio, Anabolic-androgenic steroid, LDA-assisted QSAR model, Quantum and physicochemical molecular descriptor, Virtual ScreeningAutores:Alvarez-Ginarte Y.M., Crespo-Otero R., García-De La Vega J.M., García-Domenech R., Montero-Cabrera L.A., Noheda-Marin P., Ruíz-García J.A., Yovani Marrero-Ponce, Zaragoza F.T.Fuentes:googlescopusIntegration of ligand and structure-based virtual screening for identification of leading anabolic steroids
ArticleAbstract: Parallel ligand- and structure-based virtual screenings of 269 steroids with anabolic activity evaluPalabras claves:Anabolic steroids, CLÚSTER ANALYSIS, QSAR and docking studies, Quantum and physicochemical molecular descriptor, Virtual ScreeningAutores:Agramonte-Delgado A., Alvarez-Ginarte Y.M., Bencomo-Martínez A., García-De La Vega J.M., Mikosch H., Montero-Cabrera L.A., Pupo A., Ruíz-García J.A., Yovani Marrero-PonceFuentes:googlescopusQuantitative structure - Activity relationship of the 4,5α- dihydrotestosterone steroid family
ArticleAbstract: Pbkp_redictive Quantitative Structure - Activity Relationship (QSAR) models of Anabolic/Androgenic (Palabras claves:Anabolic and androgenic steroids, Genetic Algorithm, Levator ani muscle, molecular descriptor, QSAR, Seminal vesicle, Ventral prostateAutores:Alvarez-Ginarte Y.M., Crespo-Otero R., Montero-Cabrera L.A., Padrón-García A., Ruíz-García J.A., Torrens Zaragoza F., Yovani Marrero-PonceFuentes:scopusTotal and local quadratic indices of the "molecular pseudograph's atom adjacency matrix". Application to pbkp_rediction of Caco-2 permeability of drugs
ArticleAbstract: The high interest in the pbkp_rediction of the intestinal absorption for New Chemical Entities (NCEsPalabras claves:Caco-2 cell, Drug Absorption, QSPerR, Quadratic Indices, TOMO-COMD SoftwareAutores:Montero-Cabrera L.A., Ofori E., Pérez M.A.C., Yovani Marrero-Ponce, Zaldivar V.R.Fuentes:googlescopus