C. R. García-Jacas

发表

GOWAWA Aggregation Operator‐based Global Molecular Characterizations: Weighting Atom/bond Contributions (LOVIs/LOEIs) According to their Influence in the Molecular Encoding

F. Cortés‐Guzmán, Y. Marrero-Ponce, C. R. García-Jacas, 2018, Molecular informatics.

Tensor Algebra-based Geometrical (3D) Biomacro-Molecular Descriptors for Protein Research: Theory, Applications and Comparison with other Methods

Julio E Terán, Y. Marrero-Ponce, E. Terán, 2019, Scientific Reports.

Novel global and local 3D atom-based linear descriptors of the Minkowski distance matrix: theory, diversity–variability analysis and QSPR applications

José R. Valdés-Martiní, Y. Marrero-Ponce, S. Barigye, 2015, Journal of Mathematical Chemistry.

Conformation-dependent QSAR approach for the prediction of inhibitory activity of bromodomain modulators

J. Medina-Franco, Y. Marrero-Ponce, K. Martínez-Mayorga, 2017, SAR and QSAR in environmental research.

Tensor algebra-based geometric methodology to codify central chirality on organic molecules

Y. Marrero-Ponce, K. Martínez-Mayorga, C. R. García-Jacas, 2017, SAR and QSAR in environmental research.

N-tuple topological/geometric cutoffs for 3D N-linear algebraic molecular codifications: variability, linear independence and QSAR analysis

Y. Marrero-Ponce, S. Barigye, C. R. García-Jacas, 2016, SAR and QSAR in environmental research.

LEGO-based Generalized Set of Two Linear Algebraic 3D Bio-Macro-Molecular Descriptors: Theory and Validation by QSARs.

José R. Valdés-Martiní, Julio E Terán, Y. Marrero-Ponce, 2020, Journal of theoretical biology.

Fuzzy spherical truncation-based multi-linear protein descriptors: From their definition to application in structural-related predictions

A. Antunes, Y. Marrero-Ponce, Guillermín Agüero-Chapín, 2022, Frontiers in Chemistry.

IMMAN: free software for information theory-based chemometric analysis

José R. Valdés-Martiní, Y. Marrero-Ponce, F. Pérez-Giménez, 2015, Molecular Diversity.

QuBiLS‐MIDAS: A parallel free‐software for molecular descriptors computation based on multilinear algebraic maps

Yovani Marrero-Ponce, Liesner Acevedo-Martínez, César R. García-Jacas, 2014, J. Comput. Chem..

Automatic construction of molecular similarity networks for visual graph mining in chemical space of bioactive peptides: an unsupervised learning approach

Jesus A. Beltran, Yovani Marrero-Ponce, Hugo A. Guillen-Ramirez, 2020, Scientific Reports.

Novel 3D bio-macromolecular bilinear descriptors for protein science: Predicting protein structural classes.

Yovani Marrero-Ponce, Stephen J Barigye, Ernesto Contreras-Torres, 2015, Journal of theoretical biology.

Predicting reactive sites with quantum chemical topology: carbonyl additions in multicomponent reactions.

F. Cortés‐Guzmán, C. R. García-Jacas, D. Ramírez‐Palma, 2020, Physical chemistry chemical physics : PCCP.

Database fingerprint (DFP): an approach to represent molecular databases

José L. Medina-Franco, Karina Martinez-Mayorga, César R. García-Jacas, 2017, Journal of Cheminformatics.

Ensemble Models Based on QuBiLS-MAS Features and Shallow Learning for the Prediction of Drug-Induced Liver Toxicity: Improving Deep Learning and Traditional Approaches.

Yovani Marrero-Ponce, César R García-Jacas, Jose R Mora, 2020, Chemical research in toxicology.

MuLiMs-MCoMPAs: A Novel Multiplatform Framework to Compute Tensor Algebra-Based Three-Dimensional Protein Descriptors

Yovani Marrero-Ponce, Ernesto Contreras-Torres, Carlos A Brizuela, 2019, J. Chem. Inf. Model..

Multi‐Server Approach for High‐Throughput Molecular Descriptors Calculation based on Multi‐Linear Algebraic Maps

Yovani Marrero-Ponce, Liesner Acevedo-Martínez, Tatiana Avdeenko, 2015, Molecular informatics.

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

Yovani Marrero-Ponce, César R. García-Jacas, Lisset Cabrera-Leyva, 2018, Journal of Cheminformatics.

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

Yovani Marrero-Ponce, Karina Martinez-Mayorga, César R. García-Jacas, 2017, Journal of Cheminformatics.

Examining the predictive accuracy of the novel 3D N-linear algebraic molecular codifications on benchmark datasets

Yovani Marrero-Ponce, César R. García-Jacas, Lisset Cabrera-Leyva, 2016, Journal of Cheminformatics.

IMMAN: free software for information theory-based chemometric analysis

Yovani Marrero-Ponce, César R. García-Jacas, Stephen J. Barigye, 2015, Molecular Diversity.

Drug repositioning for novel antitrichomonas from known antiprotozoan drugs using hierarchical screening.

Y. Marrero-Ponce, E. Terán, S. Barigye, 2018, Future medicinal chemistry.