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scopus(3)
Dragon method for finding novel tyrosinase inhibitors: Biosilico identification and experimental in vitro assays
ArticleAbstract: QSAR (quantitative structure-activity relationship) studies of tyrosinase inhibitors employing DragoPalabras claves:Bipiperidine series, dragon descriptor, LDA-Based QSAR Model, Tyrosinase inhibitor, Virtual ScreeningAutores:Ather A., Gerardo M. Casañola-Martin, Khan K., Khan M.T.H., Rotondo R., Torrens F., Yovani Marrero-PonceFuentes:scopusNew tyrosinase inhibitors selected by atomic linear indices-based classification models
ArticleAbstract: In the present report, the use of the atom-based linear indices for finding functions that discriminPalabras claves:Autores:Ather A., Gerardo M. Casañola-Martin, Khan M.T.H., Sultankhodzhaev M.N., Torrens F., Yovani Marrero-PonceFuentes:scopusPbkp_rediction of tyrosinase inhibition activity using atom-based bilinear indices
ArticleAbstract: A set of novel atom-based molecular fingerprints is proposed based on a bilinear map similar to thatPalabras claves:Atom-based bilinear indices, Computer chemistry, Cycloartanes, Ligand-based virtual screening, Tyrosinase inhibitorsAutores:Ather A., Gerardo M. Casañola-Martin, Khan M.T.H., Rotondo R., Sultankhodzhaev M.N., Torrens F., Yovani Marrero-PonceFuentes:scopus