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A multi-objective approach for anti-osteosarcoma cancer agents discovery through drug repurposing
ArticleAbstract: Osteosarcoma is the most common type of primary malignant bone tumor. Although nowadays 5-year surviPalabras claves:Drug repositioning, Machine learning, Multi-objective model, Osteosarcoma, Virtual ScreeningAutores:Alejandro Cabrera-Andrade, Andrés López-Cortés, Eduardo Tejera, Gabriela Fernanda Jaramillo-Koupermann, González‐díaz H., Munteanu C.R., Sierra A.P., Yunierkis Perez-CastilloFuentes:scopusCarbon nanotubes’ effect on mitochondrial oxygen flux dynamics: Polarography experimental study and machine learning models using star graph trace invariants of raman spectra
ArticleAbstract: This study presents the impact of carbon nanotubes (CNTs) on mitochondrial oxygen mass flux (Jm) undPalabras claves:carbon nanotubes, Cytotoxicity, Graph Theory, Mitochondria oxygen mass flux, Raman spectroscopy, Spectral momentsAutores:Barreiro Sorrivas J.M., Gerardo M. Casañola-Martin, González-Durruthy M., González‐díaz H., Maojo V., Monserrat J.M., Munteanu C.R., Paraíso-Medina S., Rasulev B., Sierra A.P.Fuentes:scopusEvolutionary computation and QSAR research
ReviewAbstract: The successful high throughput screening of molecule libraries for a specific biological property isPalabras claves:Evolutionary computation, Feature Extraction, Genetic Algorithms, Genetic Programming, Molecular descriptors, QSAR, Quantitative structure-activity relationships, Variable selectionAutores:Aguiar-Pulido V., Dorado J., Gestal M., Maykel Cruz-Monteagudo, Munteanu C.R., Rabuñal J.R.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:scopusPerturbation-theory machine learning (PTML) multilabel model of the CheMBL dataset of preclinical assays for antisarcoma compounds
ArticleAbstract: Sarcomas are a group of malignant neoplasms of connective tissue with a different etiology than carcPalabras claves:Autores:Alejandro Cabrera-Andrade, Andrés López-Cortés, Arrasate S., Eduardo Tejera, González‐díaz H., Munteanu C.R., Sierra A.P., Yunierkis Perez-CastilloFuentes:googlescopusPrediction of breast cancer proteins involved in immunotherapy, metastasis, and RNA-binding using molecular descriptors and artificial neural networks
ArticleAbstract: Breast cancer (BC) is a heterogeneous disease where genomic alterations, protein expression deregulaPalabras claves:Autores:Alejandro Cabrera-Andrade, Andrés López-Cortés, Cesar Paz-y-Miño, Eduardo Tejera, Gonzáles-Díaz H., Munteanu C.R., Santiago Xavier Guerrero, Sierra A.P., Vázquez-Naya J.M., Yunierkis Perez-CastilloFuentes:googlescopusPtml multi-label algorithms: Models, software, and applications
ReviewAbstract: By combining Machine Learning (ML) methods with Perturbation Theory (PT), it is possi-ble to developPalabras claves:Cheminformatics, Drug Discovery, Large data sets, Machine learning, Multi-target models, perturbation theory, PTMLAutores:Arrasate S., Bediaga H., Bernabé Ortega-Tenezaca, Collados J., González‐díaz H., Madariaga G., Munteanu C.R., Natalia Dias Soeiro Cordeiro M., Quevedo‐tumailli V.Fuentes:scopusStochastic molecular descriptors for polymers. 4. Study of complex mixtures with topological indices of mass spectra spiral and star networks: The blood proteome case
ArticleAbstract: The Quantitative Structure-Property Relationships (QSPRs) based on Graph or Network Theory are imporPalabras claves:Biopolymers mixtures, complex networks, QSPRAutores:Borges F., Chou K.C., González‐díaz H., Maykel Cruz-Monteagudo, Munteanu C.R., Natalia Dias Soeiro Cordeiro M., Uriarte E.Fuentes:scopus