Publicaciones en las que colabora con FRANCISCO TORRENS ZARAGOZA (18)

2023

  1. A Review of Computational Approaches Targeting SARS-CoV-2 Main Protease to the Discovery of New Potential Antiviral Compounds

    Current Topics in Medicinal Chemistry, Vol. 23, Núm. 1, pp. 3-16

2022

  1. Ligand-based discovery of new potential acetylcholinesterase inhibitors for Alzheimer’s disease treatment

    SAR and QSAR in Environmental Research, Vol. 33, Núm. 1, pp. 49-61

2021

  1. Computational identification of chemical compounds with potential anti-Chagas activity using a classification tree

    SAR and QSAR in Environmental Research, Vol. 32, Núm. 1, pp. 71-83

2018

  1. Computational identification of chemical compounds with potential activity against leishmania amazonensis using nonlinear machine learning techniques

    Current Topics in Medicinal Chemistry, Vol. 18, Núm. 27, pp. 2347-2354

2017

  1. Dry selection and wet evaluation for the rational discovery of new anthelmintics

    Molecular Physics, Vol. 115, Núm. 17-18, pp. 2300-2313

2016

  1. Generalized molecular descriptors derived from event-based discrete derivative

    Current Pharmaceutical Design, Vol. 22, Núm. 33, pp. 5095-5113

2015

  1. Extending graph (discrete) derivative descriptors to N-tuple atom-relations

    Match, Vol. 73, Núm. 2, pp. 397-420

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

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

  3. QuBiLs-MAS method in early drug discovery and rational drug identification of antifungal agents

    SAR and QSAR in Environmental Research, Vol. 26, Núm. 11, pp. 943-958

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. Discrete derivatives for atom-pairs as a novel graph-theoretical invariant for generating new molecular descriptors: Orthogonality, interpretation and QSARs/QSPRs on benchmark databases

    Molecular Informatics, Vol. 33, Núm. 5, pp. 343-368

2013

  1. Shannon's, mutual, conditional and joint entropy information indices: Generalization of global indices defined from local vertex invariants

    Current Computer-Aided Drug Design, Vol. 9, Núm. 2, pp. 164-183

2011

  1. 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

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

  2. Computational discovery of novel trypanosomicidal drug-like chemicals by using bond-based non-stochastic and stochastic quadratic maps and linear discriminant analysis

    European Journal of Pharmaceutical Sciences, Vol. 39, Núm. 1-3, pp. 30-36

  3. Tomocomd-camps and protein bilinear indices - Novel bio-macromolecular descriptors for protein research: I. Predicting protein stability effects of a complete set of alanine substitutions in the Arc repressor

    FEBS Journal, Vol. 277, Núm. 15, pp. 3118-3146

2009

  1. Nucleotide's bilinear indices: Novel bio-macromolecular descriptors for bioinformatics studies of nucleic acids. I. Prediction of paromomycin's affinity constant with HIV-1 Ψ-RNA packaging region

    Journal of Theoretical Biology, Vol. 259, Núm. 2, pp. 229-241

2008

  1. Atom- and bond-based 2D TOMOCOMD-CARDD approach and ligand-based virtual screening for the drug discovery of new tyrosinase inhibitors

    Journal of Biomolecular Screening, Vol. 13, Núm. 10, pp. 1014-1024