Stephen J. Barigye

Publication Activity (10 Years)

Years Active: 2012-2024
Publications (10 Years): 9

Top Topics

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

J. Cheminformatics

J. Comput. Aided Mol. Des.

Publications

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) (2024)
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) (2020)
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) (2019)
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) (2019)
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) (2019)
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) (2019)
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) (2018)
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) (2017)
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) (2016)
Stephen J. Barigye, Matheus P. Freitas
Is molecular alignment an indispensable requirement in the MIA-QSAR method? J. Comput. Chem. 36 (23) (2015)
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) (2015)
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) (2014)
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) (2013)
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) (2012)