Mostrando 3 resultados de: 3
Filtros aplicados
Publisher
Chemometrics and Intelligent Laboratory Systems(1)
Current Pharmaceutical Design(1)
Methodologies and Applications for Chemoinformatics and Chemical Engineering(1)
Área temáticas
Farmacología y terapéutica(2)
Química analítica(2)
Fisiología humana(1)
Física aplicada(1)
Pequeños trabajos de forja (herrería)(1)
Área de conocimiento
Bioquímica(2)
Descubrimiento de fármacos(2)
Aprendizaje automático(1)
Ciencias de la computación(1)
Farmacología(1)
Objetivos de Desarrollo Sostenible
ODS 3: Salud y bienestar(3)
ODS 9: Industria, innovación e infraestructura(3)
Origen
scopus(3)
QSAR models for tyrosinase inhibitory activity description applying modern statistical classification techniques: A comparative study
ArticleAbstract: Cluster analysis (CA), Linear and Quadratic Discriminant Analysis (L(Q)DA), Binary Logistic RegressiPalabras claves:Atom-based quadratic indices, Modern statistical methods, Multiple Comparison Procedures, ROC curve, ToMoCoMD-CARDD software, Tyrosinase inhibitorAutores:Abad C., Amilkar Puris, Cardoso G.C., Gerardo M. Casañola-Martin, Rescigno A., Thu H.L.T., Torrens F., Yovani Marrero-PonceFuentes:scopusRetrained classification of tyrosinase inhibitors and "In Silico" potency estimation by using atom-type linear indices: A powerful tool for speed up the discovery of leads
Book PartAbstract: In this paper, the authors present an effort to increase the applicability domain (AD) by means of rPalabras claves:Autores:Abad C., García-Domenech R., Gerardo M. Casañola-Martin, Khan M.T.H., Rescigno A., Thu H.L.T., Torrens F., Yovani Marrero-PonceFuentes:scopusLigand-based computer-aided discovery of tyrosinase inhibitors. applications of the TOMOCOMD-CARDD method to the elucidation of new compounds
ArticleAbstract: In this review an overview of the application of computational approaches is given. Specifically, thPalabras claves:Ligand-Based Virtual Screening (LBVS), Quantitative Structure-Activity relationship (QSAR), ToMoCoMD-CARDD, Tyrosinase inhibitorAutores:Abad C., Gerardo M. Casañola-Martin, Khan M.T.H., Rescigno A., Torrens F., Yovani Marrero-PonceFuentes:scopus