Documentos de Stephen Jones Barigye | REDI

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Palabras Claves: "QuBiLS-MIDAS"

Subtipo de publicación

Publisher

Current Bioinformatics(1)

Journal of Cheminformatics(1)

Journal of Computational Chemistry(1)

Molecular Informatics(1)

SAR and QSAR in Environmental Research(1)

Área temáticas

Ciencias de la computación(2)

Funcionamiento de bibliotecas y archivos(1)

Programación informática, programas, datos, seguridad(1)

Área de conocimiento

Optimización matemática(2)

Ciencia de materiales(1)

Ciencias de la computación(1)

Química teórica(1)

Año de Publicación

Origen

Palabras Claves

ToMoCoMD-CARDD(5)

3D N-linear algebraic descriptors(1)

3D N-linear indices(1)

3D molecular descriptors(1)

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

Abstract: Background: Recently, novel 3D alignment-free molecular descriptors (also known as QuBiLS-MIDAS) bas

Palabras claves:

3D-QSAR, multiple linear regression, QuBiLS-MIDAS, ToMoCoMD-CARDD

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

Multi-server approach for high-throughput molecular descriptors calculation based on multi-linear algebraic maps

Abstract: The present report introduces a novel module of the QuBiLS-MIDAS software for the distributed comput

Palabras claves:

3D N-linear algebraic descriptors, Distributed computing system, Multi-server architecture, Platform of distributed tasks, QuBiLS-MIDAS, T-arenal, ToMoCoMD-CARDD

Acevedo-Martinez L., Aguilera-Mendoza L., Avdeenko T., César R. García-Jacas, González-Pérez R., Stephen Jones Barigye, Yovani Marrero-Ponce

N-tuple topological/geometric cutoffs for 3D N-linear algebraic molecular codifications: variability, linear independence and QSAR analysis

Abstract: Novel N-tuple topological/geometric cutoffs to consider specific inter-atomic relations in the QuBiL

Palabras claves:

3D molecular descriptors, N-tuple molecular cutoffs, QSAR, QuBiLS-MIDAS, ToMoCoMD-CARDD

César R. García-Jacas, Fernández-Castillo A., Hernández-Ortega T., Lisset Cabrera-Leyva, Stephen Jones Barigye, Yovani Marrero-Ponce

Optimum search strategies or novel 3D molecular descriptors: Is there a stalemate?

Abstract: The present manuscript describes a novel 3D-QSAR alignment free method (QuBiLS-MIDAS Duplex) based o

Palabras claves:

3D-QSAR, aggregation operator, Alignment free method, Minkowski distance matrix, Principal Component Analysis, QuBiLS-MIDAS, ToMoCoMD-CARDD, Two-tuple spatial-(dis)similarity matrix, Variability analysis

Alvarado Y.J., César R. García-Jacas, Cubillan N., Pino-Urias R.W., Rivera-Borroto O.M., Stephen Jones Barigye, Thu H.L.T., Valdés-Martiní J.R., Yovani Marrero-Ponce

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

Abstract: The present report introduces the QuBiLS-MIDAS software belonging to the ToMoCoMD-CARDD suite for th

Palabras claves:

3D N-linear indices, chemical development kit, double stochastic and mutual probability matrices, Java language, N-tuple simple stochastic, N-tuple spatial-(Dis)similarity matrix, QuBiLS-MIDAS, scalability, Speed up, ToMoCoMD-CARDD

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