| Database fingerprint (DFP): an approach to represent molecular databases E Fernández-de Gortari, CR García-Jacas, K Martinez-Mayorga, ... Journal of Cheminformatics 9 (9), 1-9, 2017 | 76 | 2017 |
| QuBiLS‐MIDAS: A parallel free‐software for molecular descriptors computation based on multilinear algebraic maps CR García‐Jacas, Y Marrero‐Ponce, L Acevedo‐Martínez, SJ Barigye, ... Journal of computational chemistry 35 (18), 1395-1409, 2014 | 70 | 2014 |
| QuBiLS-MAS, open source multi-platform software for atom-and bond-based topological (2D) and chiral (2.5 D) algebraic molecular descriptors computations JR Valdés-Martiní, Y Marrero-Ponce, CR García-Jacas, ... Journal of cheminformatics 9 (35), 1-26, 2017 | 62 | 2017 |
| IMMAN: free software for information theory-based chemometric analysis RWP Urias, SJ Barigye, Y Marrero-Ponce, CR García-Jacas, ... Molecular diversity 19 (2), 305-319, 2015 | 59 | 2015 |
| Automatic construction of molecular similarity networks for visual graph mining in chemical space of bioactive peptides: an unsupervised learning approach L Aguilera-Mendoza, Y Marrero-Ponce, CR Garcia-Jacas, E Chavez, ... Scientific reports 10 (1), 18074, 2020 | 36 | 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 JR Mora, Y Marrero-Ponce, CR García-Jacas, A Suarez Causado Chemical research in toxicology 33 (7), 1855-1873, 2020 | 36 | 2020 |
| Alignment-free antimicrobial peptide predictors: improving performance by a thorough analysis of the largest available data set SA Pinacho-Castellanos, CR García-Jacas, MK Gilson, CA Brizuela Journal of Chemical Information and Modeling 61 (6), 3141-3157, 2021 | 32 | 2021 |
| N-linear algebraic maps for chemical structure codification: a suitable generalization for atom-pair approaches? C R Garcia-Jacas, Y Marrero-Ponce, S J Barigye, J R Valdes-Martini, ... Current Drug Metabolism 15 (4), 441-469, 2014 | 28 | 2014 |
| Examining the predictive accuracy of the novel 3D N-linear algebraic molecular codifications on benchmark datasets CR García-Jacas, E Contreras-Torres, Y Marrero-Ponce, M Pupo-Meriño, ... Journal of Cheminformatics 8 (10), 2016 | 25 | 2016 |
| Do deep learning models make a difference in the identification of antimicrobial peptides? CR García-Jacas, SA Pinacho-Castellanos, LA García-González, ... Briefings in Bioinformatics 23 (3), bbac094, 2022 | 24 | 2022 |
| Novel 3D bio-macromolecular bilinear descriptors for protein science: Predicting protein structural classes Y Marrero-Ponce, E Contreras-Torres, CR García-Jacas, SJ Barigye, ... Journal of theoretical biology 374, 125-137, 2015 | 22 | 2015 |
| Conformation-dependent QSAR approach for the prediction of inhibitory activity of bromodomain modulators CR García‐Jacas, K Martinez-Mayorga, Y Marrero‐Ponce, ... SAR and QSAR in Environmental Research 28 (1), 41-58, 2017 | 21 | 2017 |
| Enhancing acute oral toxicity predictions by using consensus modeling and algebraic form-based 0D-to-2D molecular encodes C Garcia-Jacas, yovani Marrero-Ponce, F Cortes-Guzman, ... Chemical research in toxicology, 2019 | 20 | 2019 |
| Optimum Search Strategies or Novel 3D Molecular Descriptors: Is there a Stalemate? Y Marrero-Ponce, CR García-Jacas, SJ Barigye, JR Valdés-Martiní, ... Current Bioinformatics 10 (5), 533-564, 2015 | 19 | 2015 |
| Multi‐Server Approach for High‐Throughput Molecular Descriptors Calculation based on Multi‐Linear Algebraic Maps CR García‐Jacas, L Aguilera‐Mendoza, R González‐Pérez, ... Molecular Informatics 34 (1), 60-69, 2015 | 19 | 2015 |
| Smoothed Spherical Truncation based on Fuzzy Membership Functions: Application to the Molecular Encoding CR García‐Jacas, Y Marrero‐Ponce, CA Brizuela, J Suárez‐Lezcano, ... Journal of computational chemistry 41 (3), 203-217, 2020 | 17 | 2020 |
| N-tuple topological/geometric cutoffs for 3D N-linear algebraic molecular codifications: variability, linear independence and QSAR analysis CR García-Jacas, Y Marrero-Ponce, SJ Barigye, T Hernández-Ortega, ... SAR and QSAR in Environmental Research 27 (12), 949-975, 2016 | 13 | 2016 |
| Choquet integral-based fuzzy molecular characterizations: when global definitions are computed from the dependency among atom/bond contributions (LOVIs/LOEIs) CR García-Jacas, L Cabrera-Leyva, Y Marrero-Ponce, J Suárez-Lezcano, ... Journal of Cheminformatics 10 (51), 2018 | 12 | 2018 |
| Distributed and multicore QuBiLS‐MIDAS software v2. 0: Computing chiral, fuzzy, weighted and truncated geometrical molecular descriptors based on tensor algebra CR García‐Jacas, Y Marrero‐Ponce, R Vivas‐Reyes, J Suárez‐Lezcano, ... Journal of Computational Chemistry 41 (12), 1209-1227, 2020 | 10 | 2020 |
| LEGO-based generalized set of two linear algebraic 3D bio-macro-molecular descriptors: Theory and validation by QSARs Y Marrero-Ponce, JE Teran, E Contreras-Torres, CR García-Jacas, ... Journal of theoretical biology 485, 110039, 2020 | 10 | 2020 |
Yovani Marrero-PonceUniversidad San Francisco de Quito (USFQ), Quito, Ecuador; Fundación Universitaria Tecnológico deVerified email at usfq.edu.ec
