Dirección de estudios de posgrado

web

Aguilera Mendoza, L., Ayala Ruano, S., Martinez Rios, F., Chávez González, E. L., García Jacas, C. R., Brizuela Rodríguez, C. A., & Marrero Ponce, Y. (2023). StarPep Toolbox: an open-source software to assist chemical space analysis of bioactive peptides and their functions using complex networks. BIOINFORMATICS. doi: 10.1093/bioinformatics/btad506. (ID: 28884)

García González, L. A., Marrero Ponce, Y., Brizuela Rodríguez, C. A., & García Jacas, C. R. (2023). Overproduce and select, or determine optimal molecular descriptor subset via configuration space optimization? Application to the prediction of ecotoxicological endpoints. Molecular Informatics, 42(6), e202200227. doi: 10.1002/minf.202200227. (ID: 29442)

García Jacas, C. R., García González, L. A., Martinez Rios, F., Tapia Contreras, I. P., & Brizuela Rodríguez, C. A. (2022). Handcrafted versus non-handcrafted (self-supervised) features for the classification of antimicrobial peptides: complementary or redundant?. BRIEFINGS IN BIOINFORMATICS. doi: 10.1093/bib/bbac428. (ID: 28018)

Contreras Torres, E., Marrero Ponce, Y., Teran, J., Aguero Chapin, G., Antunes, A., & García Jacas, C. R. (2022). Fuzzy spherical truncation-based multi-linear protein descriptors: From their definition to application in structural-related predictions. Frontiers in Chemistry. doi: 10.3389/fchem.2022.959143. (ID: 28027)

García Jacas, C. R., Pinacho Castellanos, S. A., García González, L. A., & Brizuela Rodríguez, C. A. (2022). Do deep learning models make a difference in the identification of antimicrobial peptides?. BRIEFINGS IN BIOINFORMATICS, 16. doi: 10.1093/bib/bbac094. (ID: 27757)

Pinacho Castellanos, S. A., García Jacas, C. R., Gilson, M. K., & Brizuela Rodríguez, C. A. (2021). Alignment-Free Antimicrobial Peptide Predictors: Improving Performance by a Thorough Analysis of the Largest Available Data Set. Journal of Chemical Information and Modeling, 61(6), 3141-3157. doi: 10.1021/acs.jcim.1c00251. (ID: 26953)

Martinez Rios, F., Murillo Suarez, A., García Jacas, C. R., & Guerrero Valadez, J. M. (2020, Noviembre). MTGWA: A Multithreaded Gray Wolf Algorithm with Strategies Based on Simulated Annealing and Genetic Algorithms. 4th EAI International Conference on Computer Science and Engineering in Health Services. Ciudad de México, México (ID: 27229)

Aguilera Mendoza, L., Marrero Ponce, Y., García Jacas, C. R., Chávez González, E. L., Beltrán Verdugo, J. A., Guillén Ramírez, H. A., & Brizuela Rodríguez, C. A. (2020). Automatic construction of molecular similarity networks for visual graph mining in chemical space of bioactive peptides: an unsupervised learning approach. Scientific Reports, 10, 18074. doi: 10.1038/s41598-020-75029-1. (ID: 26306)

Martinez Rios, F., Marmolejo Saucedo, J., García Jacas, C. R., & Murillo Suarez, A. (2020). ¿¿¿¿¿-EGF: A New Multi-Thread and Nature-Inspired Algorithm for the Packing Problem. Mobile Networks and Applications, 25, 2105-2117. doi: 10.1007/s11036-020-01558-8. (ID: 26305)

Mora, J., Marrero Ponce, Y., García Jacas, C. R., & Suarez Causado, A. (2020). Ensemble Models Based on QuBiLS-MAS Features and Shallow Learning for the Prediction of Drug-Induced Liver Toxicity: Improving Deep Learning and Traditional Approaches. CHEMICAL RESEARCH IN TOXICOLOGY, 33(7), 1855-1873. doi: 10.1021/acs.chemrestox.0c00030. (ID: 26092)

Ramirez Palma, D., García Jacas, C. R., Capio Martinez, P., & Cortés Guzmán, F. (2020). Predicting reactive sites with quantum chemical topology: carbonyl additions in multicomponent reactions. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 22, 9283-9289. doi: 10.1039/D0CP00300J. (ID: 26057)

García Jacas, C. R., Marrero Ponce, Y., Vivas Reyes, R., Suárez Lezcano, J., Martinez Rios, F., Teran, J., & Aguilera Mendoza, L. (2020). Distributed and multicore QuBiLS¿MIDAS software v2.0: Computing chiral, fuzzy, weighted and truncated geometrical molecular descriptors based on tensor algebra. JOURNAL OF COMPUTATIONAL CHEMISTRY, 41(12), 1209-1227. doi: 10.1002/jcc.26167. (ID: 26056)

Ramirez Palma, L., García Jacas, C. R., Garcia Ramos, J. C., Almada Monter, R., Galindo Murillo, G., & Cortés Guzmán, F. (2019). Pharmacophoric sites of anticancer metal complexes located using quantum topological atomic descriptors. JOURNAL OF MOLECULAR STRUCTURE, 1204(127480). doi: 10.1016/j.molstruc.2019.127480. (ID: 25403)

Contreras Torres, E., Marrero Ponce, Y., Teran, J., García Jacas, C. R., Brizuela Rodríguez, C. A., & Sanchez Rodriguez, J. C. (2019). MuLiMs-MCoMPAs: A Novel Multiplatform Framework to Compute Tensor Algebra-Based Three-Dimensional Protein Descriptors. Journal of Chemical Information and Modeling. doi: 10.1021/acs.jcim.9b00629. (ID: 25457)

García Jacas, C. R., Marrero Ponce, Y., Brizuela Rodríguez, C. A., Suárez Lezcano, J., & Martinez Rios, F. (2019). Smoothed Spherical Truncation based on Fuzzy Membership Functions: Application to the Molecular Encoding. JOURNAL OF COMPUTATIONAL CHEMISTRY, 41(3), 203-217. doi: 10.1002/jcc.26089. (ID: 25402)

Marrero Ponce, Y., Teran, J., Contreras Torres, E., García Jacas, C. R., Perez Castillo, Y., Cubillán, N., Pérez Giménez, F., & Valdés Martiní, J. R. (2019). LEGO-based generalized set of two linear algebraic 3D bio-macro-molecular descriptors: Theory and validation by QSARs. JOURNAL OF THEORETICAL BIOLOGY, 485(110039). doi: 10.1016/j.jtbi.2019.110039. (ID: 25114)

García Jacas, C. R., Teran, J., Marrero Ponce, Y., Contreras Torres, E., Viva Reyes, R., Terán, E., & Torres, J. (2019). Tensor Algebra-based Geometrical (3D) Biomacro-Molecular Descriptors for Protein Research: Theory, Applications and Comparison with other Methods. Scientific Reports, 9, 11316. doi: 10.1038/s41598-019-47858-2. (ID: 24989)

García Jacas, C. R., Marrero Ponce, Y., Cortes Guzman, F., Suárez Lezcano, J., Martinez Rios, F., García González, L. A., Pupo Meriño, M., & Martinez Mayorga, K. (2019). Enhancing Acute Oral Toxicity Predictions by using Consensus Modeling and Algebraic Form-Based 0D-to-2D Molecular Encodes. CHEMICAL RESEARCH IN TOXICOLOGY, 32(6), 1178-1192. doi: 10.1021/acs.chemrestox.9b00011. (ID: 24988)

García Jacas, C. R., Cabrera Leyva, L., Marrero Ponce, Y., Suárez Lezcano, J., Cortes Guzman, F., Pupo Meriño, M., & Vivas Reyes, R. (2018). Choquet integral-based fuzzy molecular characterizations: when global definitions are computed from the dependency among atom/bond contributions (LOVIs/LOEIs). Journal of Cheminformatics, 10(51), 1-17. doi: 10.1186/s13321-018-0306-7. (ID: 24875) ^(E)

García Jacas, C. R., Cabrera Leyva, L., Marrero Ponce, Y., Suárez Lezcano, J., Cortes Guzman, F., & García González, L. A. (2018). GOWAWA Aggregation Operator¿based Global Molecular Characterizations: Weighting Atom/bond Contributions (LOVIs/LOEIs) According to their Influence in the Molecular Encoding. Molecular Informatics, 37(12), 1-13. doi: 10.1002/minf.201800039. (ID: 24874) ^(E)

Leyva, Y., Martín, O., & García Jacas, C. R. (2018). Constraining the Prebiotic Cell Size Limits in Extremely Hostile Environments: A Dynamical Perspective. International Journal of Astrobiology, 18(4), 403-411. doi: 10.1089/ast.2017.1696. (ID: 24872) ^(E)

Meneses Marcel, A., Marrero Ponce, Y., Ibáñez Escribano, A., Gómez Barrio, A., Escario, J., Barigye, S. J., Terán, E., García Jacas, C. R., Machado Tugores, Y., Nogal Ruiz, J., & Arán Redó, V. (2018). Drug repositioning for novel antitrichomonas from known antiprotozoan drugs using hierarchical screening. Future Medicinal Chemistry, 10(8), 403-411. doi: 10.4155/fmc-2016-0211. (ID: 24873) ^(E)

García Jacas, C. R., Marrero Ponce, Y., Hernández Ortega, T., Martinez Mayorga, K., Cabrera Leyva, L., Ledesma Romero, J. C., Aguilera Fernández, I., & Rodríguez León, A. R. (2017). Tensor algebra-based geometric methodology to codify central chirality on organic molecules. SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 28(6), 541-556. doi: 10.1080/1062936X.2017.1344729. (ID: 24871) ^(E)

Valdés Martiní, J. R., Marrero Ponce, Y., García Jacas, C. R., Martinez Mayorga, K., Barigye, S. J., Vaz d`Almeida, Y., Pham The, H., Pérez Giménez, F., & Morell, C. (2017). QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations. Journal of Cheminformatics, 9(35), 1-26. doi: 10.1186/s13321-017-0211-5. (ID: 24870) ^(E)

Fernández de Gortari, E., García Jacas, C. R., Martinez Mayorga, K., & Medina Franco, J. L. (2017). Database fingerprint (DFP): an approach to represent molecular databases. Journal of Cheminformatics, 9(9), 1-9. doi: 10.1186/s13321-017-0195-1. (ID: 24869)

García Jacas, C. R., Martinez Mayorga, K., Marrero Ponce, Y., & Medina Franco, J. L. (2017). Conformation-dependent QSAR approach for the prediction of inhibitory activity of bromodomain modulators. SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 28(1), 41-58. doi: 10.1080/1062936X.2017.1278616. (ID: 24868)

García Jacas, C. R., Marrero Ponce, Y., Barigye, S. J., Hernández Ortega, T., Cabrera Leyva, L., & Fernández Castillo, A. (2016). N-tuples Topological/Geometric Cutoffs for 3D N-Linear Algebraic Molecular Codifications: Variability, Linear Independence and QSAR Analysis. SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 27(12), 949-975. doi: 10.1080/1062936X.2016.1231714. (ID: 24867)

García Jacas, C. R., Contreras Torres, E., Marrero Ponce, Y., Pupo Meriño, M., Barigye, S. J., & Cabrera Leyva, L. (2016). Examining the predictive accuracy of the novel 3D N¿linear algebraic molecular codifications on benchmark datasets. Journal of Cheminformatics, 8(10), 1-16. doi: 10.1186/s13321-016-0122-x. (ID: 24866) ^(E)

Marrero Ponce, Y., García Jacas, C. R., Barigye, S. J., Valdés Martiní, J. R., Rivera Borroto, O. M., Pino Urias, R., Cubillán, N., & Alvarado, Y. (2015). Optimum Search Strategies or Novel 3D Molecular Descriptors: is there a Stalemate?. Current Bioinformatics, 10(5), 533-564. doi: 10.2174/1574893610666151008011457. (ID: 24865) ^(E)

Cubillán, N., Marrero Ponce, Y., Ariza Rico, H., Barigye, S. J., García Jacas, C. R., Valdés Martiní, J. R., & Alvarado, Y. (2015). Novel global and local 3D atom-based linear descriptors of the Minkowski distance matrix: theory, diversity¿variability analysis and QSPR applications. JOURNAL OF MATHEMATICAL CHEMISTRY, 53(9), 2028-2064. doi: 10.1007/s10910-015-0533-3. (ID: 24863) ^(E)

Marrero Ponce, Y., Contreras Torres, E., García Jacas, C. R., Barigye, S. J., Cubillán, N., & Alvarado, J. A. (2015). Novel 3D bio-macromolecular bilinear descriptors for protein science: Predicting protein structural classes. JOURNAL OF THEORETICAL BIOLOGY, 374, 125-137. doi: 10.1016/j.jtbi.2015.03.026. (ID: 24862)

Pino Urias, R., Barigye, S., Marrero Ponce, Y., García Jacas, C. R., Valdés Martiní, J. R., & Pérez Giménez, F. (2015). IMMAN: Free Software for Information Theory-based Chemometric Analysis. MOLECULAR DIVERSITY, 19(2), 305-319. doi: 10.1007/s11030-014-9565-z. (ID: 24861)

García Jacas, C. R., Aguilera Mendoza, L., González Pérez, R., Marrero Ponce, Y., Acevedo Martínez, L., Barigye, S., & Avdeenko, T. (2014). Multi-Server Approach for High-Throughput Molecular Descriptors Calculation based on Multi-Linear Algebraic Maps. Molecular Informatics, 34(1), 60-69. doi: 10.1002/minf.201400086. (ID: 24860)

García Jacas, C. R., Marrero Ponce, Y., Barigye, S. J., & Valdés Martiní, J. R. (2014). N-Linear Algebraic Maps to Codify Chemical Structures: is a suitable generalization to the atom-pairs approaches?. CURRENT DRUG METABOLISM, 15(4), 441-469. doi: 10.2174/1389200215666140605124506. (ID: 24858) ^(E)

García Jacas, C. R., Marrero Ponce, Y., Acevedo Martínez, L., Barigye, S., Valdés Martiní, J. R., & Contreras Torres, E. (2014). QuBiLS-MIDAS: A Parallel Free-Software for Molecular Descriptors Computation based on Multi-Linear Algebraic Maps. JOURNAL OF COMPUTATIONAL CHEMISTRY, 35(18), 1395-1409. doi: 10.1002/jcc.23640. (ID: 24859) ^(E)

Departamento:	Ciencias de la Computación
División:	Física Aplicada
SNI:	I
Graduado en:	Universidad Central "Marta Abreu" de Las Villas

Título	Estudiante	Fecha
Algoritmos basados en descriptores a nivel de aminoácidos y estructuras terciarias predichas para predecir péptidos antimicrobianos mediante aprendizaje de grafos	Greneter Cordoves Delgado	20-09-2024
Búsqueda de un conjunto óptimo de descriptores moleculares para la modelación QSAR	Luis Antonio García González	06-12-2023
Predicción de actividad antimicrobiana usando modelos de escala evolutiva a través de un flujo de trabajo en la plataforma KNIME	Karla Lorena Martínez Mauricio	29-09-2023
Implementación de algoritmos de clasificación de una sola clase para la clasificación de péptidos antimicrobianos	Isaac Pedro Tapia Contreras	02-02-2022
Clasificación multiclase de péptidos antimicrobianos: un enfoque comparativo	Sergio Alejandro Pinacho Castellanos	15-01-2021

García Jacas César Raúl

Normativa

Laboratorios

Cuerpos Colegiados

Accesos rápidos