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scopus(13)
Chemoinformatics in anti-cancer chemotherapy: Multi-target QSAR model for the in silico discovery of anti-breast cancer agents
ArticleAbstract: The discovery of new and more efficient anti-cancer chemotherapies is a field of research in expansiPalabras claves:Anti-BC activity, BC cell lines, In silico design, linear discriminant analysis, mt-QSAR, quantitative contributionsAutores:Alejandro Speck-Planche, Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro 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:scopusCell-based multi-target QSAR model for design of virtual versatile inhibitors of liver cancer cell lines
ArticleAbstract: Liver cancers are one of the leading fatal diseases among malignant neoplasms. Current chemotherapeuPalabras claves:ANTICANCER, Artificial Neural Network, Fragment, Liver cancer, multi-target, QSAR, virtual designAutores:Alejandro Speck-Planche, Kleandrova V.V., Nayarisseri A., Scotti L., Scotti M.T.Fuentes:scopusFragment-based QSAR model toward the selection of versatile anti-sarcoma leads
ArticleAbstract: A sarcoma is a type of cancer which is originated from the connective tissue cells. With the time, sPalabras claves:Anti-sarcoma activity, Fragments, linear discriminant analysis, Multi-target QSARAutores:Alejandro Speck-Planche, Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro 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:scopusMulti-Condition QSAR Model for the Virtual Design of Chemicals with Dual Pan-Antiviral and Anti-Cytokine Storm Profiles
ArticleAbstract: Respiratory viruses are infectious agents, which can cause pandemics. Although nowadays the danger aPalabras claves:Autores:Alejandro Speck-Planche, Kleandrova V.V.Fuentes:scopusMulti-scale QSAR approach for simultaneous modeling of ecotoxic effects of pesticides
Book PartAbstract: Pesticides are chemical or biological agents, whose ultimate purpose is to eradicate pests, thus prePalabras claves:Artificial Neural Network, Ecotoxic, Fragment, Multi-scale, PESTICIDES, QSARAutores:Alejandro Speck-PlancheFuentes:scopusMulti-target QSAR approaches for modeling protein inhibitors. Simultaneous pbkp_rediction of activities against biomacromolecules present in Gram-negative bacteria
ArticleAbstract: Drug discovery is aimed at finding therapeutic agents for the treatment of many diverse diseases andPalabras claves:Amino acid sequence, inhibitor, Molecular fragment, Moving average approach, mt-QSAR, Physicochemical propertiesAutores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusMulticellular Target QSAR Model for Simultaneous Pbkp_rediction and Design of Anti-Pancreatic Cancer Agents
ArticleAbstract: Pancreatic cancers are widely recognized as a group of neoplasms with one of the poorest prognoses iPalabras claves:Autores:Alejandro Speck-PlancheFuentes:scopusQSAR Modeling for Multi-Target Drug Discovery: Designing Simultaneous Inhibitors of Proteins in Diverse Pathogenic Parasites
ArticleAbstract: Parasitic diseases remain as unresolved health issues worldwide. While for some parasites the treatmPalabras claves:Artificial Neural Network, docking, Fragment, mt-QSAR, multi-target inhibitor, Multilayer Perceptron, parasites, virtual designAutores:Alejandro Speck-Planche, Bezerra Mendonça Junior F.J., Kleandrova V.V., Muratov E., Scotti L., Scotti M.T.Fuentes:scopus