Centro de Investigación Científica y de Educación Superior de Ensenada, Baja California
Año
Autores / Publicación
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)
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)