Publications en collaboration avec des chercheurs de Universidad de Cienfuegos (9)

2008

  1. Novel 2D TOMOCOMD-CARDD molecular descriptors: Atom-based stochastic and non-stochastic bilinear indices and their QSPR applications

    Journal of Mathematical Chemistry, Vol. 44, Núm. 3, pp. 650-673

2006

  1. Non-stochastic and stochastic linear indices of the molecular pseudograph's atom-adjacency matrix: A novel approach for computational in silico screening and "rational" selection of new lead antibacterial agents

    Journal of Molecular Modeling, Vol. 12, Núm. 3, pp. 255-271

2005

  1. Atom, atom-type, and total nonstochastic and stochastic quadratic fingerprints: A promising approach for modeling of antibacterial activity

    Bioorganic and Medicinal Chemistry, Vol. 13, Núm. 8, pp. 2881-2899

  2. Protein linear indices of the 'macromolecular pseudograph α-carbon atom adjacency matrix' in bioinformatics. Part 1: Prediction of protein stability effects of a complete set of alanine substitutions in Arc repressor

    Bioorganic and Medicinal Chemistry, Vol. 13, Núm. 8, pp. 3003-3015

2004

  1. 3D-Chiral quadratic indices of the 'molecular pseudographa's atom adjacency matrix' and their application to central chirality codification: Classification of ACE inhibitors and prediction of σ-receptor antagonist activities

    Bioorganic and Medicinal Chemistry, Vol. 12, Núm. 20, pp. 5331-5342

  2. A new topological descriptors based model for predicting intestinal epithelial transport of drugs in caco-2 cell culture

    Journal of Pharmacy and Pharmaceutical Sciences, Vol. 7, Núm. 2, pp. 186-199

  3. Atom, atom-type, and total linear indices of the "molecular pseudograph's atom adjacency matrix": Application to QSPR/QSAR studies of organic compounds

    Molecules, Vol. 9, Núm. 12, pp. 1100-1123

  4. Nucleic acid quadratic indices of the "macromolecular graph's nucleotides adjacency matrix". Modeling of footprints after the interaction of paromomycin with the HIV-1 Ψ-RNA packaging region

    International Journal of Molecular Sciences, Vol. 5, Núm. 11-12, pp. 276-293

  5. Protein quadratic indices of the "macromolecular pseudograph's α-carbon atom adjacency matrix". 1. Prediction of Arc repressor alanine-mutant's stability

    Molecules, Vol. 9, Núm. 12, pp. 1124-1147