Stephen J. Barigye

According to our database, Stephen J. Barigye authored at least 14 papers between 2012 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

Rethinking the applicability domain analysis in QSAR models.

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

J. Comput. Aided Mol. Des., December, 2024

2020

Use of Extended-Hückel Descriptors for Rapid and Accurate Predictions of Conjugated Torsional Energy Barriers.

Wanlei Wei, Candide Champion, Stephen J. Barigye, Zhaomin Liu, Paul Labute, Nicolas Moitessier

J. Chem. Inf. Model., 2020

2019

Cellular Estimation Gaussian Algorithm for Continuous Domain.

Yoan Martínez López, Julio Madera, Ansel Y. Rodríguez González, Stephen J. Barigye

J. Intell. Fuzzy Syst., 2019

Torsional Energy Barriers of Biaryls Could Be Predicted by Electron Richness/Deficiency of Aromatic Rings; Advancement of Molecular Mechanics toward Atom-Type Independence.

Wanlei Wei, Candide Champion, Zhaomin Liu, Stephen J. Barigye, Paul Labute, Nicolas Moitessier

J. Chem. Inf. Model., 2019

Atom Type Independent Modeling of the Conformational Energy of Benzylic, Allylic, and Other Bonds Adjacent to Conjugated Systems.

Candide Champion, Stephen J. Barigye, Wanlei Wei, Zhaomin Liu, Paul Labute, Nicolas Moitessier

J. Chem. Inf. Model., 2019

Undersampling: case studies of flaviviral inhibitory activities.

Stephen J. Barigye, José Manuel García de la Vega, Juan A. Castillo-Garit

J. Comput. Aided Mol. Des., 2019

2018

Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules.

Zhaomin Liu, Stephen J. Barigye, Moeed Shahamat, Paul Labute, Nicolas Moitessier

J. Chem. Inf. Model., 2018

2017

QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations.

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

J. Cheminformatics, 2017

2016

Examining the predictive accuracy of the novel 3D N-linear algebraic molecular codifications on benchmark datasets.

César R. García-Jacas, Ernesto Contreras-Torres, Yovani Marrero-Ponce, Mario Pupo-Meriño, Stephen J. Barigye, Lisset Cabrera-Leyva

J. Cheminformatics, 2016

2015

Is molecular alignment an indispensable requirement in the MIA-QSAR method?

Stephen J. Barigye, Matheus P. Freitas

J. Comput. Chem., 2015

Overlap and diversity in antimicrobial peptide databases: compiling a non-redundant set of sequences.

Longendri Aguilera-Mendoza, Yovani Marrero-Ponce, Roberto Tellez-Ibarra, Monica T. Llorente-Quesada, Jesús Salgado, Stephen J. Barigye, Jun Liu

Bioinform., 2015

2014

QuBiLS-MIDAS: A parallel free-software for molecular descriptors computation based on multilinear algebraic maps.

César R. García-Jacas, Yovani Marrero-Ponce, Liesner Acevedo-Martínez, Stephen J. Barigye, José R. Valdés-Martiní, Ernesto Contreras-Torres

J. Comput. Chem., 2014

2013

Relations frequency hypermatrices in mutual, conditional and joint entropy-based information indices.

Stephen J. Barigye, Yovani Marrero-Ponce, Yoan Martínez López, Francisco Torrens, Luis Manuel Artiles-Martínez, Ricardo W. Pino-Urias, Oscar Martínez Santiago

J. Comput. Chem., 2013

2012

Derivatives in discrete mathematics: a novel graph-theoretical invariant for generating new 2/3D molecular descriptors. I. Theory and QSPR application.

Yovani Marrero-Ponce, Oscar Martínez Santiago, Yoan Martínez López, Stephen J. Barigye, Francisco Torrens

J. Comput. Aided Mol. Des., 2012