FRANCISCO
TORRENS ZARAGOZA
TITULAR DE UNIVERSIDAD
FACUNDO
PEREZ GIMENEZ
TITULAR DE UNIVERSIDAD
Publicaciones en las que colabora con FACUNDO PEREZ GIMENEZ (18)
2023
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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
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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
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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
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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
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Dry selection and wet evaluation for the rational discovery of new anthelmintics
Molecular Physics, Vol. 115, Núm. 17-18, pp. 2300-2313
2016
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Generalized molecular descriptors derived from event-based discrete derivative
Current Pharmaceutical Design, Vol. 22, Núm. 33, pp. 5095-5113
2015
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Extending graph (discrete) derivative descriptors to N-tuple atom-relations
Match, Vol. 73, Núm. 2, pp. 397-420
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In silico antibacterial activity modeling based on the TOMOCOMD-CARDD approach
Journal of the Brazilian Chemical Society, Vol. 26, Núm. 6, pp. 1218-1226
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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