Año
Autores / Publicación
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)
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)
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., 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)