Publicaciones en colaboración con investigadores/as de Universidad Central de Las Villas (15)

2015

  1. In silico antibacterial activity modeling based on the TOMOCOMD-CARDD approach

    Journal of the Brazilian Chemical Society, Vol. 26, Núm. 6, pp. 1218-1226

2014

  1. Antiprotozoan lead discovery by aligning dry and wet screening: Prediction, synthesis, and biological assay of novel quinoxalinones

    Bioorganic and Medicinal Chemistry, Vol. 22, Núm. 5, pp. 1568-1585

2013

  1. Event-based criteria in GT-STAF information indices: Theory, exploratory diversity analysis and QSPR applications

    SAR and QSAR in Environmental Research, Vol. 24, Núm. 1, pp. 3-34

  2. Retrained classification of tyrosinase inhibitors and "In Silico" potency estimation by using atom-type linear indices: A powerful tool for speed up the discovery of leads

    Methodologies and Applications for Chemoinformatics and Chemical Engineering (IGI Global), pp. 322-427

2012

  1. Synthesis, biological evaluation and chemometric analysis of indazole derivatives. 1,2-Disubstituted 5-nitroindazolinones, new prototypes of antichagasic drug

    European Journal of Medicinal Chemistry, Vol. 58, pp. 214-227

2011

  1. Bond-extended stochastic and nonstochastic bilinear indices. I. QSPR/QSAR applications to the description of properties/activities of small-medium size organic compounds

    International Journal of Quantum Chemistry, Vol. 111, Núm. 1, pp. 8-34

  2. Discovery of novel anti-inflammatory drug-like compounds by aligning in silico and in vivo screening: The nitroindazolinone chemotype

    European Journal of Medicinal Chemistry, Vol. 46, Núm. 12, pp. 5736-5753

2010

  1. Bond-based linear indices of the non-stochastic and stochastic edge-adjacency matrix. 1. Theory and modeling of ChemPhys properties of organic molecules

    Molecular Diversity, Vol. 14, Núm. 4, pp. 731-753

2009

  1. Applications of bond-based 3D-chiral quadratic indices in QSAR studies related to central chirality codification

    QSAR and Combinatorial Science, Vol. 28, Núm. 11-12, pp. 1465-1477

2008

  1. Applying pattern recognition methods plus quantum and physico-chemical molecular descriptors to analyze the anabolic activity of structurally diverse steroids

    Journal of Computational Chemistry, Vol. 29, Núm. 3, pp. 317-333

  2. Bond-based 3D-chiral linear indices: Theory and QSAR applications to central chirality codification

    Journal of Computational Chemistry, Vol. 29, Núm. 15, pp. 2500-2512

  3. Bond-based linear indices in QSAR: Computational discovery of novel anti-trichomonal compounds

    Journal of Computer-Aided Molecular Design, Vol. 22, Núm. 8, pp. 523-540

  4. Estimation of ADME properties in drug discovery: Predicting Caco-2 cell permeability using atom-based stochastic and non-stochastic linear indices

    Journal of Pharmaceutical Sciences, Vol. 97, Núm. 5, pp. 1946-1976

  5. 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

1998

  1. Designing sedative/hypnotic compounds from a novel substructural graph-theoretical approach

    Journal of Computer-Aided Molecular Design, Vol. 12, Núm. 6, pp. 583-595