Publicacións en colaboración con investigadores/as de Universidad Central de Las Villas (45)

2019

  1. Perturbation Theory Machine Learning Modeling of Immunotoxicity for Drugs Targeting Inflammatory Cytokines and Study of the Antimicrobial G1 Using Cytometric Bead Arrays

    Chemical Research in Toxicology, Vol. 32, Núm. 9, pp. 1811-1823

2014

  1. Model for high-throughput screening of drug immunotoxicity - Study of the anti-microbial G1 over peritoneal macrophages using flow cytometry

    European Journal of Medicinal Chemistry, Vol. 72, pp. 206-220

2013

  1. Classifier ensemble based on feature selection and diversity measures for predicting the affinity of A2B adenosine receptor antagonists

    Journal of Chemical Information and Modeling, Vol. 53, Núm. 12, pp. 3140-3155

  2. Entropy model for multiplex drug-target interaction endpoints of drug immunotoxicity

    Current Topics in Medicinal Chemistry, Vol. 13, Núm. 14, pp. 1636-1649

2012

  1. ANN multiplexing model of drugs effect on macrophages; Theoretical and flow cytometry study on the cytotoxicity of the anti-microbial drug G1 in spleen

    Bioorganic and Medicinal Chemistry, Vol. 20, Núm. 20, pp. 6181-6194

  2. Immunotoxicity, flow cytometry, and chemoinformatics: Review, bibliometric analysis, and new QSAR model of drug effects over macrophages

    Current Topics in Medicinal Chemistry, Vol. 12, Núm. 16, pp. 1815-1833

2010

  1. Design, synthesis, and evaluation of antineoplastic activity of novel carbocyclic nucleosides

    Molecular Informatics, Vol. 29, Núm. 3, pp. 213-231

2009

  1. A TOPological Sub-structural Molecular Design (TOPS-MODE)-QSAR approach for modeling the antiproliferative activity against murine leukemia tumor cell line (L1210)

    Bioorganic and Medicinal Chemistry, Vol. 17, Núm. 2, pp. 537-547

  2. Alignment-free prediction of mycobacterial DNA promoters based on pseudo-folding lattice network or star-graph topological indices

    Journal of Theoretical Biology, Vol. 256, Núm. 3, pp. 458-466

  3. Alignment-free prediction of polygalacturonases with pseudofolding topological indices: Experimental isolation from coffea arabica and prediction of a new sequence

    Journal of Proteome Research, Vol. 8, Núm. 4, pp. 2122-2128

  4. Theoretical prediction of antiproliferative activity against murine leukemia tumor cell line (L1210). 3D-morse descriptor and its application in computational chemistry)

    QSAR and Combinatorial Science, Vol. 28, Núm. 1, pp. 98-110

2008

  1. Quantitative structure-antibacterial activity relationship modeling using a combination of piecewise linear regression-discriminant analysis (I): Quantum chemical, topographic, and topological descriptors

    International Journal of Quantum Chemistry

  2. Stochastic molecular descriptors for polymers. 4. Study of complex mixtures with topological indices of mass spectra spiral and star networks: The blood proteome case

    Polymer, Vol. 49, Núm. 25, pp. 5575-5587

2007

  1. ANN-QSAR model for selection of anticancer leads from structurally heterogeneous series of compounds

    European Journal of Medicinal Chemistry, Vol. 42, Núm. 5, pp. 580-585

  2. Chemometrics for QSAR with low sequence homology: Mycobacterial promoter sequences recognition with 2D-RNA entropies

    Chemometrics and Intelligent Laboratory Systems, Vol. 85, Núm. 1, pp. 20-26

  3. Probing the anticancer activity of nucleoside analogues: A QSAR model approach using an internally consistent training set

    Journal of Medicinal Chemistry, Vol. 50, Núm. 7, pp. 1537-1545

2006

  1. A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins

    Journal of Medicinal Chemistry, Vol. 49, Núm. 3, pp. 1149-1156

  2. Novel 2D maps and coupling numbers for protein sequences. The first QSAR study of polygalacturonases; isolation and prediction of a novel sequence from Psidium guajava L.

    FEBS Letters, Vol. 580, Núm. 3, pp. 723-730

  3. QSAR study for mycobacterial promoters with low sequence homology

    Bioorganic and Medicinal Chemistry Letters, Vol. 16, Núm. 3, pp. 547-553

  4. Simple stochastic fingerprints towards mathematical modeling in biology and medicine 2. Unifying Markov model for drugs side effects

    Bulletin of Mathematical Biology, Vol. 68, Núm. 7, pp. 1527-1554