Publicacións en colaboración con investigadores/as de Universidad Central de Las Villas (36)

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

2009

  1. 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

  2. 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

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

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

  5. Stochastic entropy QSAR for the in silico discovery of anticancer compounds: Prediction, synthesis, and in vitro assay of new purine carbanucleosides

    Bioorganic and Medicinal Chemistry, Vol. 14, Núm. 4, pp. 1095-1107

  6. Unify QSAR approach to antimicrobials. Part 1: Predicting antifungal activity against different species

    Bioorganic and Medicinal Chemistry, Vol. 14, Núm. 17, pp. 5973-5980

2005

  1. 2D RNA-QSAR: Assigning ACC oxidase family membership with stochastic molecular descriptors; isolation and prediction of a sequence from Psidium guajava L

    Bioorganic and Medicinal Chemistry Letters, Vol. 15, Núm. 11, pp. 2932-2937

  2. 3D QSAR Markov model for drug-induced eosinophilia - Theoretical prediction and preliminary experimental assay of the antimicrobial drug G1

    Bioorganic and Medicinal Chemistry, Vol. 13, Núm. 5, pp. 1523-1530

  3. Biopolymer stochastic moments. I. Modeling human rhinovirus cellular recognition with protein surface electrostatic moments

    Biopolymers, Vol. 77, Núm. 5, pp. 296-303

  4. Markovian chemicals "in silico" design (MARCH-INSIDE), a promising approach for computer-aided molecular design III: 2.5D indices for the discovery of antibacterials

    Journal of Molecular Modeling, Vol. 11, Núm. 2, pp. 116-123

  5. Predicting multiple drugs side effects with a general drug-target interaction thermodynamic Markov model

    Bioorganic and Medicinal Chemistry, Vol. 13, Núm. 4, pp. 1119-1129

  6. Predicting stability of Arc repressor mutants with protein stochastic moments

    Bioorganic and Medicinal Chemistry, Vol. 13, Núm. 2, pp. 323-331

  7. Proteins Markovian 3D-QSAR with spherically-truncated average electrostatic potentials

    Bioorganic and Medicinal Chemistry, Vol. 13, Núm. 11, pp. 3641-3647