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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: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:googlescopus