Yovani Marrero-Ponce

Orcid: 0000-0003-2721-1142

According to our database1, Yovani Marrero-Ponce authored at least 27 papers between 2004 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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Bibliography

2024
Rethinking the applicability domain analysis in QSAR models.
J. Comput. Aided Mol. Des., December, 2024

2023
<i>StarPep Toolbox</i>: an open-source software to assist chemical space analysis of bioactive peptides and their functions using complex networks.
Bioinform., August, 2023

From a coenzyme-like mechanism to homochirality.
Biosyst., May, 2023

2020
MuLiMs-MCoMPAs: A Novel Multiplatform Framework to Compute Tensor Algebra-Based Three-Dimensional Protein Descriptors.
J. Chem. Inf. Model., 2020

Distributed and multicore QuBiLS-MIDAS software v2.0: Computing chiral, fuzzy, weighted and truncated geometrical molecular descriptors based on tensor algebra.
J. Comput. Chem., 2020

Smoothed Spherical Truncation based on Fuzzy Membership Functions: Application to the Molecular Encoding.
J. Comput. Chem., 2020

2019
Graph-based data integration from bioactive peptide databases of pharmaceutical interest: toward an organized collection enabling visual network analysis.
Bioinform., 2019

2018
Choquet integral-based fuzzy molecular characterizations: when global definitions are computed from the dependency among atom/bond contributions (LOVIs/LOEIs).
J. Cheminformatics, 2018

2017
QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations.
J. Cheminformatics, 2017

2016
Relational Agreement Measures for Similarity Searching of Cheminformatic Data Sets.
IEEE ACM Trans. Comput. Biol. Bioinform., 2016

Examining the predictive accuracy of the novel 3D N-linear algebraic molecular codifications on benchmark datasets.
J. Cheminformatics, 2016

2015
ProtDCal: A program to compute general-purpose-numerical descriptors for sequences and 3D-structures of proteins.
BMC Bioinform., 2015

Overlap and diversity in antimicrobial peptide databases: compiling a non-redundant set of sequences.
Bioinform., 2015

2014
QuBiLS-MIDAS: A parallel free-software for molecular descriptors computation based on multilinear algebraic maps.
J. Comput. Chem., 2014

2013
Relations frequency hypermatrices in mutual, conditional and joint entropy-based information indices.
J. Comput. Chem., 2013

2012
Derivatives in discrete mathematics: a novel graph-theoretical invariant for generating new 2/3D molecular descriptors. I. Theory and QSPR application.
J. Comput. Aided Mol. Des., 2012

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.
Int. J. Chemoinformatics Chem. Eng., 2012

2011
Comparison of Combinatorial Clustering Methods on Pharmacological Data Sets Represented by Machine Learning-Selected Real Molecular Descriptors.
J. Chem. Inf. Model., 2011

2008
Bond-based 3D-chiral linear indices: Theory and QSAR applications to central chirality codification.
J. Comput. Chem., 2008

Applying pattern recognition methods plus quantum and physico-chemical molecular descriptors to analyze the anabolic activity of structurally diverse steroids.
J. Comput. Chem., 2008

Bond-based linear indices in QSAR: computational discovery of novel anti-trichomonal compounds.
J. Comput. Aided Mol. Des., 2008

2007
Bond-based 2D <i>TOMOCOMD-CARDD</i> approach for drug discovery: aiding decision-making in 'in silico' selection of new lead tyrosinase inhibitors.
J. Comput. Aided Mol. Des., 2007

2006
Bond-based global and local (bond, group and bond-type) quadratic indices and their applications to computer-aided molecular design, 1. QSPR studies of diverse sets of organic chemicals.
J. Comput. Aided Mol. Des., 2006

2005
Ligand-Based Virtual Screening and in Silico Design of New Antimalarial Compounds Using Nonstochastic and Stochastic Total and Atom-Type Quadratic Maps.
J. Chem. Inf. Model., 2005

3D-chiral Atom, Atom-type, and Total Non-stochastic and Stochastic Molecular Linear Indices and their Applications to Central Chirality Codification.
J. Comput. Aided Mol. Des., 2005

2004
Linear Indices of the "Molecular Pseudograph's Atom Adjacency Matrix": Definition, Significance-Interpretation, and Application to QSAR Analysis of Flavone Derivatives as HIV-1 Integrase Inhibitors.
J. Chem. Inf. Model., 2004

Tomocomd-Cardd, a novel approach for computer-aided ' rational' drug design: I. Theoretical and experimental assessment of a promising method for computational screening and in silico design of new anthelmintic compounds.
J. Comput. Aided Mol. Des., 2004


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