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scopus(7)
Enabling virtual screening of potent and safer antimicrobial agents against noma: Mtk-QSBER model for simultaneous pbkp_rediction of antibacterial activities and ADMET properties
ArticleAbstract: Neglected diseases are infections that thrive mainly among underdeveloped countries, particularly thPalabras claves:ADMET, antibacterial, linear discriminant analysis, NOMA, Quadratic IndicesAutores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusDiscovery of Anti-Alzheimer agents: Current Ligand-Based approaches toward the design of acetylcholinesterase inhibitors
ArticleAbstract: Alzheimer's disease (AD) is a neurodegenerative disorder characterized by progressive dementia and lPalabras claves:3D-QSAR, AChE inhibitors, Fragments, linear discriminant analysis, QSARAutores:Alejandro Speck-Planche, Luan F., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusMonoamino oxidase A: An interesting pharmacological target for the development of multi-target QSAR
ArticleAbstract: With the significant increase of life expectancy of populations in societies today, the importance oPalabras claves:drug design, MAO-A inhibitors, Monoamine oxidase, Multi-target model, neurodegenerative diseases, QSARAutores:Alejandro Speck-Planche, Matos M.J., Molina-Pérez E., Orallo F., Santana L., Sobarzo-Sánchez E., Uriarte E., Yáñez M.Fuentes:scopusMulti-scale modeling in drug discovery against infectious diseases
ArticleAbstract: This work discusses the idea that drug discovery, instead of being performed through a series of filPalabras claves:Antimicrobial, Infectious diseases, Mtk-QSBER, Multi-scale de novo drug design, Pharmacokinetic, ToxicityAutores:Alejandro Speck-PlancheFuentes:scopusMulti-target drug discovery in medicinal chemistry: Current status and future perspectives
OtherAbstract:Palabras claves:Autores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusIn silico assessment of the acute toxicity of chemicals: Recent advances and new model for multitasking pbkp_rediction of toxic effect
ArticleAbstract: The assessment of acute toxicity is one of the most important stages to ensure the safety of chemicaPalabras claves:Acute toxicity, artificial neural networks, Laboratory animals, mtk-QSTR, Route of administration, Spectral momentsAutores:Alejandro Speck-Planche, Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusThe QSAR paradigm in fragment-based drug discovery: From the virtual generation of target inhibitors to multi-scale modeling
ReviewAbstract: Fragment-based drug design (FBDD) has established itself as a promising approach in modern drug discPalabras claves:Artificial Neural Network, docking, FBDD, Molecular fragment, Multi-scale model, Pseudo-linear equation, QSARAutores:Alejandro Speck-Planche, Kleandrova V.V.Fuentes:scopus