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ChemMedChem(1)
Chemical Biology and Drug Design(1)
Recent Trends on QSAR in the Pharmaeutical Perceptions(1)
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Química analítica(2)
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scopus(3)
Bond-based 2D Quadratic fingerprints in QSAR studies: Virtual and in vitro tyrosinase inhibitory activity elucidation
ArticleAbstract: In this report, we show the results of quantitative structure-activity relationship (QSAR) studies oPalabras claves:Bond-based quadratic indices, LDA-Based QSAR Model, lignan, ToMoCoMD-CARDD software, Tyrosinase inhibitorAutores:Abad C., Gerardo M. Casañola-Martin, Khan M.T.H., Khan S., Pérez-Jiménez F., Rescigno A., Torrens F., Yovani Marrero-PonceFuentes:scopusQSAR-based CMs and TOMOCOMD-CARD approach for the discovery of new tyrosinase inhibitor chemicals
Book PartAbstract: Tyrosinase is an oxidoreductase enzyme (EC 1.14.18.1) involved in the two mainsteps of the biochemicPalabras claves:Quantitative Structure-Activity relationship (QSAR), ToMoCoMD-CARDD, Tyrosinase inhibitorAutores:Abad C., Gerardo M. Casañola-Martin, Khan M.T.H., Rescigno A., Thu H.L.T., 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