Publicaciones en colaboración con investigadores/as de Universitat de Girona (26)

2023

  1. Application of SSIR Method for the Design of Fungicides

    Applied Sciences (Switzerland), Vol. 13, Núm. 2

2022

  1. Similarity-Based Virtual Screening to Find Antituberculosis Agents Based on Novel Scaffolds: Design, Syntheses and Pharmacological Assays

    International Journal of Molecular Sciences, Vol. 23, Núm. 23

  2. Visualización del Número de Avogadro

    Nereis: revista iberoamericana interdisciplinar de métodos, modelización y simulación, Núm. 14, pp. 89-105

2020

  1. Ranking series of cancer-related gene expression data by means of the superposing significant interaction rules method

    Biomolecules, Vol. 10, Núm. 9, pp. 1-14

2018

  1. Modeling properties with artificial neural networks and multilinear least-squares regression: Advantages and drawbacks of the two methods

    Applied Sciences (Switzerland), Vol. 8, Núm. 7

2016

  1. Discriminating drug-like compounds by partition trees with quantum similarity indices and graph invariants

    Current Pharmaceutical Design, Vol. 22, Núm. 34, pp. 5179-5195

  2. Molecular rearrangement of an Aza-Scorpiand macrocycle induced by pH: A computational study

    International Journal of Molecular Sciences, Vol. 17, Núm. 7

  3. Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate

    Chemistry - A European Journal, Vol. 22, Núm. 22, pp. 7497-7507

  4. Superposing Significant Interaction Rules (SSIR) method: A simple procedure for rapid ranking of congeneric compounds

    Croatica Chemica Acta, Vol. 89, Núm. 4

2015

  1. How useful is a relationship?

    Advances in Chemical Modeling (Nova Science Publishers, Inc.), pp. 365-372

2014

  1. A probabilistic analysis about the concepts of difficulty and usefulness of a molecular ranking classification

    Current Computer-Aided Drug Design, Vol. 10, Núm. 2, pp. 107-114

  2. The Titius-bode relationship and the lability of QSAR/QSPR models

    Match, Vol. 71, Núm. 1, pp. 143-148

2012

  1. Orthogonal regression methods in chemical modeling

    Chemical Information and Computational Challenges in the 21st Century (Nova Science Publishers, Inc.), pp. 244-259

2011

  1. On plots in QSAR/QSPR methodologies

    Quantum Frontiers of Atoms and Molecules (Nova Science Publishers, Inc.), pp. 589-605

2010

  1. Ordinary and orthogonal regressions in QSAR/QSPR and chemistry-related studies

    Match, Vol. 63, Núm. 3, pp. 573-583

  2. Two-variable linear regression: Modeling with orthogonal least-squares analysis

    Journal of Chemical Education, Vol. 87, Núm. 9, pp. 994-995

2007

  1. Trends and plot methods in MLR studies

    Journal of Chemical Information and Modeling, Vol. 47, Núm. 3, pp. 751-760

2006

  1. An overlooked property of plot methods

    Journal of Mathematical Chemistry, Vol. 39, Núm. 3-4, pp. 475-484

  2. Internal test sets studies in a group of antimalarials

    International Journal of Molecular Sciences, Vol. 7, Núm. 10, pp. 456-468

  3. Some plots are not that equivalent

    Match, Vol. 55, Núm. 2, pp. 281-286