Stephen J. Barigye

14 papers Journal 14
YearRankTypeTitle / Venue / Authors
2024 J jnl
Rethinking the applicability domain analysis in QSAR models.
J. Comput. Aided Mol. Des.
José Ramón Mora, Edgar Márquez, Noel Pérez-Pérez, Ernesto Contreras-Torres, Yunierkis Pérez-Castillo, Guillermín Agüero-Chapín, Félix Martínez-Ríos, Yovani Marrero-Ponce, Stephen J. Barigye
2020 J jnl
Use of Extended-Hückel Descriptors for Rapid and Accurate Predictions of Conjugated Torsional Energy Barriers.
J. Chem. Inf. Model.
Wanlei Wei, Candide Champion, Stephen J. Barigye, Zhaomin Liu, Paul Labute, Nicolas Moitessier
2019 J jnl
Atom Type Independent Modeling of the Conformational Energy of Benzylic, Allylic, and Other Bonds Adjacent to Conjugated Systems.
J. Chem. Inf. Model.
Candide Champion, Stephen J. Barigye, Wanlei Wei, Zhaomin Liu, Paul Labute, Nicolas Moitessier
2019 J jnl
Cellular Estimation Gaussian Algorithm for Continuous Domain.
J. Intell. Fuzzy Syst.
Yoan Martínez López, Julio Madera, Ansel Y. Rodríguez-González, Stephen J. Barigye
2019 J jnl
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.
Wanlei Wei, Candide Champion, Zhaomin Liu, Stephen J. Barigye, Paul Labute, Nicolas Moitessier
2019 J jnl
Undersampling: case studies of flaviviral inhibitory activities.
J. Comput. Aided Mol. Des.
Stephen J. Barigye, José Manuel García de la Vega, Juan A. Castillo-Garit
2018 J jnl
Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules.
J. Chem. Inf. Model.
Zhaomin Liu, Stephen J. Barigye, Moeed Shahamat, Paul Labute, Nicolas Moitessier
2017 J jnl
QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations.
J. Cheminformatics
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
2016 J jnl
Examining the predictive accuracy of the novel 3D N-linear algebraic molecular codifications on benchmark datasets.
J. Cheminformatics
César R. García-Jacas, Ernesto Contreras-Torres, Yovani Marrero-Ponce, Mario Pupo-Meriño, Stephen J. Barigye, Lisset Cabrera-Leyva
2015 J jnl
Is molecular alignment an indispensable requirement in the MIA-QSAR method?
J. Comput. Chem.
Stephen J. Barigye, Matheus P. Freitas
2015 J jnl
Overlap and diversity in antimicrobial peptide databases: compiling a non-redundant set of sequences.
Bioinform.
Longendri Aguilera-Mendoza, Yovani Marrero-Ponce, Roberto Tellez-Ibarra, Monica T. Llorente-Quesada, Jesús Salgado, Stephen J. Barigye, Jun Liu
2014 J jnl
QuBiLS-MIDAS: A parallel free-software for molecular descriptors computation based on multilinear algebraic maps.
J. Comput. Chem.
César R. García-Jacas, Yovani Marrero-Ponce, Liesner Acevedo-Martínez, Stephen J. Barigye, José R. Valdés-Martiní, Ernesto Contreras-Torres
2013 J jnl
Relations frequency hypermatrices in mutual, conditional and joint entropy-based information indices.
J. Comput. Chem.
Stephen J. Barigye, Yovani Marrero-Ponce, Yoan Martínez López, Francisco Torrens, Luis Manuel Artiles-Martínez, Ricardo W. Pino-Urias, Oscar Martínez Santiago
2012 J jnl
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.
Yovani Marrero-Ponce, Oscar Martínez Santiago, Yoan Martínez López, Stephen J. Barigye, Francisco Torrens