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Chapter 16: Demystifying Artificial Neural Networks as Generators of New Chemical Knowledge: Antimalarial Drug Discovery as a Case Study
Book PartAbstract: Artificial neural networks have revolutionized the drug discovery process. Nevertheless, two handicaPalabras claves:Autores:Alejandro Speck-Planche, Kleandrova V.V.Fuentes:scopusComputer-aided discovery in antimicrobial research: In silico model for virtual screening of potent and safe anti-pseudomonas agents
ArticleAbstract: Resistance of bacteria to current antibiotics is an alarming health problem. In this sense, PseudomoPalabras claves:ADMET, antibacterial, Delafloxacin, linear discriminant analysis, Mtk-QSBER, Pseudomonas spp., TOMOCOMDAutores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusComputer-aided drug design, synthesis and evaluation of new anti-cancer drugs
ArticleAbstract:Palabras claves:Autores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusComputer-aided nanotoxicology: Assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach
ArticleAbstract: Nowadays, the interest in the search for new nanomaterials with improved electrical, optical, catalyPalabras claves:Autores:Alejandro Speck-Planche, González‐díaz H., Kleandrova V.V., Luan F., Melo A., Natalia Dias Soeiro Cordeiro M., Ruso J.M.Fuentes:scopusBET 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:scopusArtificial intelligence, big data and machine learning approaches in precision medicine & drug discovery
ArticleAbstract: Artificial Intelligence revolutionizes the drug development process that can quickly identify potentPalabras claves:Artificial Intelligence, BIG DATA, Drug Discovery, Machine learning, Precision Medicine, Virtual ScreeningAutores:Alejandro Speck-Planche, Khandelwal R., Madhavi M., Nayarisseri A., Sharma D., Singh S.K., Tanwar P., Thakur G.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:scopusFirst Multitarget Chemo-Bioinformatic Model to Enable the Discovery of Antibacterial Peptides against Multiple Gram-Positive Pathogens
ArticleAbstract: Antimicrobial peptides (AMPs) have emerged as promising therapeutic alternatives to fight against thPalabras claves:Autores:Alejandro Speck-Planche, Kleandrova V.V., Natalia Dias Soeiro Cordeiro M., Ruso J.M.Fuentes:scopusEvolution of graph theory-based QSAR methods and their applications to the search for new antibacterial agents
ArticleAbstract: Resistance of bacteria to current antibiotics has increased worldwide, being one of the leading unrePalabras claves:Antibacterial activity, Graph-theoretical approach, Molecular fragment, Moving average approach, Multiplexing QSAR, Nosocomial infection, Topological descriptorAutores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.Fuentes:scopus