Publicacions en col·laboració amb investigadors/es de Universidad Central de Las Villas (13)

2015

  1. Bond-based bilinear indices for computational discovery of novel trypanosomicidal drug-like compounds through virtual screening

    European Journal of Medicinal Chemistry, Vol. 96, pp. 238-244

2014

  1. Analysis of proteasome inhibition prediction using atom-based quadratic indices enhanced by machine learning classification techniques

    Letters in Drug Design and Discovery, Vol. 11, Núm. 6, pp. 705-711

  2. Tyrosinase enzyme: 1. An overview on a pharmacological target

    Current Topics in Medicinal Chemistry, Vol. 14, Núm. 12, pp. 1494-1501

2013

  1. 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. A review of QSAR studies to discover new drug-like compounds actives against Leishmaniasis and Trypanosomiasis

    Current Topics in Medicinal Chemistry, Vol. 12, Núm. 8, pp. 852-865

  2. Identification In Silico and In Vitro of Novel Trypanosomicidal Drug-Like Compounds

    Chemical Biology and Drug Design, Vol. 80, Núm. 1, pp. 38-45

  3. QSAR-based CMs and TOMOCOMD-CARD approach for the discovery of new tyrosinase inhibitor chemicals

    Recent Trends on QSAR in the Pharmaeutical Perceptions (Bentham Science Publishers Ltd.), pp. 298-341

2011

  1. A comparative study of nonlinear machine learning for the "in silico" depiction of tyrosinase inhibitory activity from molecular structure

    Molecular Informatics, Vol. 30, Núm. 6-7, pp. 527-537

  2. Ligand-based discovery of novel trypanosomicidal drug-like compounds: In silico identification and experimental support

    European Journal of Medicinal Chemistry, Vol. 46, Núm. 8, pp. 3324-3330

  3. Novel coumarin-based tyrosinase inhibitors discovered by OECD principles-validated QSAR approach from an enlarged, balanced database

    Molecular Diversity, Vol. 15, Núm. 2, pp. 507-520

2010

  1. Bond-based 2D Quadratic fingerprints in QSAR studies: Virtual and in vitro tyrosinase inhibitory activity elucidation

    Chemical Biology and Drug Design, Vol. 76, Núm. 6, pp. 538-545

  2. Ligand-based computer-aided discovery of tyrosinase inhibitors. applications of the TOMOCOMD-CARDD method to the elucidation of new compounds

    Current Pharmaceutical Design, Vol. 16, Núm. 24, pp. 2601-2624

  3. QSAR models for tyrosinase inhibitory activity description applying modern statistical classification techniques: A comparative study

    Chemometrics and Intelligent Laboratory Systems, Vol. 104, Núm. 2, pp. 249-259