S
Stephen J. Barigye
Researcher at McGill University
Publications - 77
Citations - 1026
Stephen J. Barigye is an academic researcher from McGill University. The author has contributed to research in topics: Quantitative structure–activity relationship & Molecular descriptor. The author has an hindex of 16, co-authored 75 publications receiving 818 citations. Previous affiliations of Stephen J. Barigye include Universidad de las Américas Puebla & Central University, India.
Papers
More filters
Journal ArticleDOI
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,César R. García-Jacas,Karina Martinez-Mayorga,Stephen J. Barigye,Yasser Silveira Vaz d‘Almeida,Hai Pham-The,Facundo Pérez-Giménez,Carlos Morell +9 more
TL;DR: The present manuscript introduces the QuBiLS-MAS software, a standalone software designed to compute topological molecular descriptors based on bilinear, quadratic and linear algebraic forms for atom- and bond-based relations, which yields similar-to-superior performance with regard to other QSAR methodologies reported in the literature.
Journal ArticleDOI
QuBiLS‐MIDAS: A parallel free‐software for molecular descriptors computation based on multilinear algebraic maps
César R. García-Jacas,Yovani Marrero-Ponce,Yovani Marrero-Ponce,Liesner Acevedo-Martínez,Stephen J. Barigye,José R. Valdés-Martiní,Ernesto Contreras-Torres +6 more
TL;DR: The QuBiLS‐MIDAS software constitutes a useful application for the computation of the molecular indices based on N‐linear algebraic maps and it can be used freely to perform chemoinformatics studies.
Journal ArticleDOI
IMMAN: free software for information theory-based chemometric analysis.
Ricardo W. Pino Urias,Stephen J. Barigye,Yovani Marrero-Ponce,Yovani Marrero-Ponce,César R. García-Jacas,José R. Valdés-Martiní,Facundo Pérez-Giménez +6 more
TL;DR: The features and theoretical background of a new and free computational program for chemometric analysis denominated IMMAN, and it is revealed that the use of IMMAN unsupervised feature selection methods improves the performance of both IMMAN and WEKA supervised algorithms.
Journal ArticleDOI
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 +6 more
TL;DR: A new parallel-free software is introduced to compute the overlap and diversity between any number of databases and compile a set of non-redundant sequences, useful for selecting or building a suitable representative set of AMPs, according to specific needs.
Journal ArticleDOI
Trends in information theory-based chemical structure codification
Stephen J. Barigye,Yovani Marrero-Ponce,Yovani Marrero-Ponce,Facundo Pérez-Giménez,Danail Bonchev +4 more
TL;DR: This report offers a chronological review of the most relevant applications of information theory in the codification of chemical structure information, through the so-called information indices, derived from the analysis of the statistical patterns of molecular structure representations.