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Journal Articles
- 2024
[j14]José Ramón Mora, Edgar Márquez, Noel Pérez-Pérez, Ernesto Contreras-Torres
, Yunierkis Pérez-Castillo, Guillermín Agüero-Chapín, Felix Martinez-Rios, Yovani Marrero-Ponce, Stephen J. Barigye:
Rethinking the applicability domain analysis in QSAR models. J. Comput. Aided Mol. Des. 38(1): 9 (2024)- 2020
- [j13]Wanlei Wei, Candide Champion, Stephen J. Barigye, Zhaomin Liu, Paul Labute, Nicolas Moitessier:
Use of Extended-Hückel Descriptors for Rapid and Accurate Predictions of Conjugated Torsional Energy Barriers. J. Chem. Inf. Model. 60(7): 3534-3545 (2020) - 2019
- [j12]Stephen J. Barigye, José Manuel García de la Vega, Juan A. Castillo-Garit:
Undersampling: case studies of flaviviral inhibitory activities. J. Comput. Aided Mol. Des. 33(11): 997-1008 (2019) - [j11]Candide Champion, Stephen J. Barigye, Wanlei Wei, Zhaomin Liu, Paul Labute, Nicolas Moitessier:
Atom Type Independent Modeling of the Conformational Energy of Benzylic, Allylic, and Other Bonds Adjacent to Conjugated Systems. J. Chem. Inf. Model. 59(11): 4750-4763 (2019) - [j10]Wanlei Wei, Candide Champion, Zhaomin Liu, Stephen J. Barigye, Paul Labute, Nicolas Moitessier:
Torsional Energy Barriers of Biaryls Could Be Predicted by Electron Richness/Deficiency of Aromatic Rings; Advancement of Molecular Mechanics toward Atom-Type Independence. J. Chem. Inf. Model. 59(11): 4764-4777 (2019) - [j9]Yoan Martínez López, Julio Madera, Ansel Y. Rodríguez-González, Stephen J. Barigye:
Cellular Estimation Gaussian Algorithm for Continuous Domain. J. Intell. Fuzzy Syst. 36(5): 4957-4967 (2019) - 2018
- [j8]Zhaomin Liu, Stephen J. Barigye, Moeed Shahamat, Paul Labute, Nicolas Moitessier:
Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules. J. Chem. Inf. Model. 58(1): 194-205 (2018) - 2017
- [j7]José R. Valdés-Martiní, Yovani Marrero-Ponce, César R. García-Jacas, Karina Martínez-Mayorga, Stephen J. Barigye, Yasser Silveira Vaz d'Almeida, Hai Pham-The, Facundo Pérez-Giménez, Carlos A. Morell:
QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations. J. Cheminformatics 9(1): 35:1-35:26 (2017) - 2016
- [j6]César R. García-Jacas, Ernesto Contreras-Torres, Yovani Marrero-Ponce, Mario Pupo-Meriño, Stephen J. Barigye, Lisset Cabrera-Leyva:
Examining the predictive accuracy of the novel 3D N-linear algebraic molecular codifications on benchmark datasets. J. Cheminformatics 8(1): 10:1-10:16 (2016) - 2015
- [j5]Longendri Aguilera-Mendoza, Yovani Marrero-Ponce, Roberto Tellez-Ibarra, Monica T. Llorente-Quesada, Jesús Salgado, Stephen J. Barigye, Jun Liu:
Overlap and diversity in antimicrobial peptide databases: compiling a non-redundant set of sequences. Bioinform. 31(15): 2553-2559 (2015) - [j4]Stephen J. Barigye, Matheus P. Freitas:
Is molecular alignment an indispensable requirement in the MIA-QSAR method? J. Comput. Chem. 36(23): 1748-1755 (2015) - 2014
- [j3]César R. García-Jacas, Yovani Marrero-Ponce, Liesner Acevedo-Martínez, Stephen J. Barigye, José R. Valdés-Martiní, Ernesto Contreras-Torres:
QuBiLS-MIDAS: A parallel free-software for molecular descriptors computation based on multilinear algebraic maps. J. Comput. Chem. 35(18): 1395-1409 (2014) - 2013
- [j2]Stephen J. Barigye, Yovani Marrero-Ponce, Yoan Martínez López, Francisco Torrens, Luis Manuel Artiles-Martínez, Ricardo W. Pino-Urias, Oscar Martínez Santiago:
Relations frequency hypermatrices in mutual, conditional and joint entropy-based information indices. J. Comput. Chem. 34(4): 259-274 (2013) - 2012
- [j1]Yovani Marrero-Ponce, Oscar Martínez Santiago, Yoan Martínez López, Stephen J. Barigye, Francisco Torrens:
Derivatives in discrete mathematics: a novel graph-theoretical invariant for generating new 2/3D molecular descriptors. I. Theory and QSPR application. J. Comput. Aided Mol. Des. 26(11): 1229-1246 (2012)
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