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Article(10)
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Bulletin of Mathematical Biology(2)
International Journal of Molecular Sciences(2)
Nanoscale(2)
Bioorganic and Medicinal Chemistry(1)
Chemical Research in Toxicology(1)
Computer-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:scopus3D-MEDNEs: An alternative "in silico" technique for chemical research in toxicology. 2. Quantitative proteome-toxicity relationships (QPTR) based on mass spectrum spiral entropy
ArticleAbstract: Low range mass spectra (MS) characterization of serum proteome offers the best chance of discoveringPalabras claves:Autores:Borges F., Dominguez E.R., González‐díaz H., Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusA new topological descriptors based model for pbkp_redicting intestinal epithelial transport of drugs in caco-2 cell culture
ArticleAbstract: Purpose: Quantitative Structure-Permeability Relationships (QSPerR) of the intestinal permeability aPalabras claves:Autores:González‐díaz H., Pérez M.A.C., Romero-Zaldivar V., Torrens F., Yovani Marrero-PonceFuentes:googlescopusGene prioritization through consensus strategy, enrichment methodologies analysis, and networking for osteosarcoma pathogenesis
ArticleAbstract: Osteosarcoma is the most common subtype of primary bone cancer, affecting mostly adolescents. In recPalabras claves:Communality analysis, early recognition, Gene prioritization, Osteosarcoma, pathogenesisAutores:Alejandro Cabrera-Andrade, Andrés López-Cortés, Cesar Paz-y-Miño, Eduardo Tejera, Gabriela Fernanda Jaramillo-Koupermann, González‐díaz H., Munteanu C.R., Sierra A.P., Yunierkis Perez-CastilloFuentes:scopusMulti-output model with box-jenkins operators of quadratic indices for pbkp_rediction of malaria and cancer inhibitors targeting ubiquitin-proteasome pathway (UPP) proteins
ArticleAbstract: The ubiquitin-proteasome pathway (UPP) is the primary degradation system of short-lived regulatory pPalabras claves:Atom-based quadratic indices, Cáncer, CHEMBL, MALARIA, Moving average, Multi-scale and multi-output model, multi-target, QSAR, UPP inhibitorAutores:Abad C., Gerardo M. Casañola-Martin, González‐díaz H., Merino-Sanjuán M., Pérez-Giménez F., Thu H.L.T., Yovani Marrero-PonceFuentes:scopusIfptml mapping of drug graphs with protein and chromosome structural networks vs. Pre‐clinical assay information for discovery of antimalarial compounds
ArticleAbstract: The parasite species of genus Plasmodium causes Malaria, which remains a major global health problemPalabras claves:Antimalarial compounds, CHEMBL, complex networks, Machine learning, NCBI‐GDV, perturbation theory, Plasmodium proteome, UniProtAutores:Bernabé Ortega-Tenezaca, González‐díaz H., Quevedo‐tumailli V.Fuentes:scopusTowards machine learning discovery of dual antibacterial drug-nanoparticle systems
ArticleAbstract: Artificial Intelligence/Machine Learning (AI/ML) algorithms may speed up the design of DADNP systemsPalabras claves:Autores:González‐díaz H., Karel Diéguez-SantanaFuentes:googlescopusSimple stochastic fingerprints towards mathematical modeling in biology and medicine 2. Unifying Markov model for drugs side effects
ArticleAbstract: Most of present mathematical models for biological activity consider just the molecular structure. IPalabras claves:Back-projection analysis, Drugs side effects, linear discriminant analysis, Markov ModelAutores:González‐díaz H., Maykel Cruz-Monteagudo, Uriarte E.Fuentes:scopusSimple stochastic fingerprints towards mathematical modeling in biology and medicine. 3. Ocular irritability classification model
ArticleAbstract: MARCH-INSIDE methodology and a statistical classification method-linear discriminant analysis (LDA)-Palabras claves:linear discriminant analysis, Markov Model, Markovian negentropies, Ocular irritation potential, Toxicological distribution diagramsAutores:Borges F., González-Díaz Y., González‐díaz H., Maykel Cruz-MonteagudoFuentes:scopusPbkp_redicting multiple drugs side effects with a general drug-target interaction thermodynamic Markov model
ArticleAbstract: Most of present molecular descriptors just consider the molecular structure. In the present articlePalabras claves:Drugs side effects, Markov Model, ThermodynamicsAutores:González‐díaz H., Maykel Cruz-Monteagudo, Molina R., Tenorio E., Uriarte E.Fuentes:scopus