Mostrando 3 resultados de: 3
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Publisher
Journal of Combinatorial Chemistry(1)
Journal of Computational Chemistry(1)
Recent Trends on QSAR in the Pharmaeutical Perceptions(1)
Área de conocimiento
Relación cuantitativa estructura-actividad(3)
Optimización matemática(2)
Bioquímica(1)
Farmacología(1)
Origen
scopus(3)
Desirability-based methods of multiobjective optimization and ranking for global QSAR studies. Filtering safe and potent drug candidates from combinatorial libraries
ArticleAbstract: Up to now, very few applications of multiobjective optimization (MOOP) techniques to quantitative stPalabras claves:Autores:Borges F., Cagide Fajin J.L., Cañizares-Carmenate Y., Dominguez E.R., Maykel Cruz-Monteagudo, Molina-Ruiz R., Morell Pérez C., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusDesirability-based multiobjective optimization for global QSAR studies: Application to the design of novel NSAIDs with improved analgesic, antiinflammatory, and ulcerogenic profiles
ArticleAbstract: Up to now, very few reports have been published concerning the application of multiobjective optimizPalabras claves:chemoinformatics, Drug Discovery, Global QSAR, Multiobjective optimization, NSAIDS, Overall desirability function, Ulcerogenic indexAutores:Borges F., Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusQSAR, complex networks, principal components and partial order analysis of drug cardiotoxicity with proteome mass-spectra topological indices
Book PartAbstract: Blood Serum Proteome-Mass Spectra (SP-MS) may allow detecting Proteome-Early Drug Induced Cardiac ToPalabras claves:Clinical Proteomics, complex networks, Markov Model, Mass spectrometry, Partial Order, Quantitative Structure-Property RelationshipAutores:Borges F., Concud R., González‐díaz H., Maykel Cruz-Monteagudo, Munteanu C.R., Natalia Dias Soeiro Cordeiro M.Fuentes:scopus