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Pharmacophoric sites of anticancer metal complexes located using quantum topological atomic descriptors
ArticleAbstract: In this paper, we present a new set of topological atomic descriptors (TAD) to identify pharmacophorPalabras claves:Atomic descriptors, Cáncer, Cooper complex, QCT, QSAR, QTAIM, Quantum topologicalAutores:Almada-Monter R., César R. García-Jacas, Cortés-Guzmán F., Galindo-Murillo R., García-Ramos J.C., Ramírez-Palma L.G.Fuentes:scopusPbkp_redicting reactive sites with quantum chemical topology: Carbonyl additions in multicomponent reactions
ArticleAbstract: Quantum Chemical Topology (QCT) is a well established structural theoretical approach, but the develPalabras claves:Autores:Carpio-Martínez P., César R. García-Jacas, Cortés-Guzmán F., Ramírez-Palma D.I.Fuentes:scopus