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Molecular Diversity(2)
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scopus(4)
BET bromodomain inhibitors: fragment-based in silico design using multi-target QSAR models
ArticleAbstract: Epigenetics has become a focus of interest in drug discovery. In this sense, bromodomain-containingPalabras claves:artificial neural networks, BET bromodomain inhibitor, docking, Epigenetics, linear discriminant analysis, Molecular fragment, mt-QSARAutores:Alejandro Speck-Planche, Scotti M.T.Fuentes:scopusCurrent tendencies in antimicrobial research: Medicinal chemistry of antibacterial agents and advances in the use of computational methodologies
OtherAbstract:Palabras claves:Autores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M., Scotti M.T.Fuentes:scopusDesigning novel antitrypanosomal agents from a mixed graph-theoretical substructural approach
ArticleAbstract: Chagas disease is nowadays the most serious parasitic health problem. This disease is caused by TrypPalabras claves:Antitrypanosomal, Discriminant analysis, Fragment contributions, Graph theoretical descriptors, Massive screeningAutores:Alejandro Speck-Planche, de Paulo-Emerenciano V., López A., Pérez E., Scotti M.T., Uriarte E.Fuentes:scopusPTML modeling for peptide discovery: in silico design of non-hemolytic peptides with antihypertensive activity
ArticleAbstract: Abstract: Hypertension is a medical condition that affects millions of people worldwide. Despite thePalabras claves:Antihypertensive, Artificial Neural Network, hemotoxicity, Multilayer Perceptron, peptide, PTML, topological indices, virtual designAutores:Alejandro Speck-Planche, Kleandrova V.V., Rojas-Vargas J.A., Scotti M.T.Fuentes:scopus