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Applied Sciences (Switzerland)(1)
Chemometrics and Intelligent Laboratory Systems(1)
Current Pharmaceutical Design(1)
European Journal of Medicinal Chemistry(1)
Journal of Combinatorial Chemistry(1)
Chemometrics for QSAR with low sequence homology: Mycobacterial promoter sequences recognition with 2D-RNA entropies
ArticleAbstract: Pbkp_redicting mycobacterial sequences promoter of protein synthesis is important in the study of prPalabras claves:entropy, information theory, Machine learning algorithms, Markov models, Mycobacterial promoter sequences, QSAR, RNA secondary structureAutores:González-Díaz Y., González‐díaz H., Maykel Cruz-Monteagudo, Pérez-Bello A., Santana L., Uriarte E.Fuentes:scopusComplex networks and machine learning: From molecular to social sciences
OtherAbstract: Combining complex networks analysis methods with machine learning (ML) algorithms have become a veryPalabras claves:Biological networks, Clustering, complex networks, Connectome, Ensemble classification, Machine learning, Neural networks, Social and economic networks, Supervised and unsupervised learning, SUPPORT VECTOR MACHINES, Systems biology, TIME SERIESAutores:Duardo-Sanchez A., Fletcher T., González‐díaz H., Maykel Cruz-Monteagudo, Quesada D.Fuentes:scopusDesirability-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:scopusGeneralized molecular descriptors derived from event-based discrete derivative
ReviewAbstract: In the present study, a generalized approach for molecular structure characterization is introduced,Palabras claves:Atom-based derivative index, Discrete derivative, DIVATI, Event criterion, Fingerprint, Frequency matrix, PCa, QSAR/QSPR, ToMoCoMD-CARDDAutores:Cabrera R.M., César H. Zambrano, Fernando Javier Torres, Giménez F.P., López Y.M., Maykel Cruz-Monteagudo, Oscar Martínez Santiago, Stephen Jones Barigye, Thu H.L.T., Torrens F., Yaber-Goenag I., Yovani Marrero-PonceFuentes:googlescopusNet-Net Auto Machine Learning (AutoML) Pbkp_rediction of Complex Ecosystems
ArticleAbstract: Biological Ecosystem Networks (BENs) are webs of biological species (nodes) establishing trophic relPalabras claves:Autores:Barreiro E., González‐díaz H., Maykel Cruz-Monteagudo, Munteanu C.R., Sierra A.P.Fuentes:scopusUnified drug-target interaction thermodynamic Markov model using stochastic entropies to pbkp_redict multiple drugs side effects
ArticleAbstract: Most of present molecular descriptors consider just the molecular structure. In the present articlePalabras claves:ADL, Drugs side effects, Markov Model, QSAR, QSTR, thermodynamicAutores:González‐díaz H., Maykel Cruz-MonteagudoFuentes:scopusUnravelling the relationship between protein sequence and low-complexity regions entropies: Interactome implications
ArticleAbstract: Low-complexity regions are sub-sequences of biased composition in a protein sequence. The influencePalabras claves:Hubs, Interactome, Low-complexity-regions, Protein sequence entropyAutores:Cesar Paz-y-Miño, Eduardo Tejera, Gonçalves R., Martins F., Maykel Cruz-Monteagudo, Nieto-Villar J.M., Oliveira J., Rebelo I.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