Documentos de Stephen Jones Barigye | REDI

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Palabras Claves: "multiple linear regression"

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Chemical Papers(1)

Combinatorial Chemistry and High Throughput Screening(1)

Current Topics in Medicinal Chemistry(1)

Environmental Toxicology and Pharmacology(1)

Journal of Cheminformatics(1)

Área temáticas

Funcionamiento de bibliotecas y archivos(2)

Química analítica(2)

Ciencias de la computación(1)

Programación informática, programas, datos, seguridad(1)

Área de conocimiento

Descubrimiento de fármacos(2)

Aprendizaje automático(1)

Biología molecular(1)

Farmacología(1)

Año de Publicación

Origen

Palabras Claves

Aquatic toxicity(1)

Atom weighted vector(1)

Atomic weighted vector(1)

Exploring MIA-QSARs' for antimalarial quinolon-4(1H)-imines

Abstract: A series of quinolon-4(1H)-imines have been recently discovered as antimalarials, targeting both the

Palabras claves:

MALARIA, multiple linear regression, Multivariate image analysis, PLS-DA, QSAR, Quinolon-4(1H)-imines

Duarte M.H., Freitas M.P., Stephen Jones Barigye

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

Towards better BBB passage pbkp_rediction using an extensive and curated data set

Abstract: In the present report, the challenging task of drug delivery across the blood-brain barrier (BBB) is

Palabras claves:

BBB endpoint, Blood£brain barrier, dragon descriptor, linear discriminant analysis, multiple linear regression, P-Glycoprotein, Quantitative structure pharmacokinetic (property) relationship

Brito-Sánchez Y., Cherkasov A., Morell Pérez C., Stephen Jones Barigye, Thu H.L.T., Yaber-Goenaga I., Yovani Marrero-Ponce

QSRR pbkp_rediction of gas chromatography retention indices of essential oil components

Abstract: A comprehensive and largest (to the best of our knowledge) database of 791 essential oil components

Palabras claves:

artificial neural networks, Essential oil, Gas chromatography, multiple linear regression, Quantitative structure–retention relationships, Retention index

Jorge-Rodríguez M.E., Stephen Jones Barigye, Tran-Thi-Thu T., Yovani Marrero-Ponce

Pbkp_rediction of aquatic toxicity of benzene derivatives using molecular descriptor from atomic weighted vectors

Abstract: Several descriptors from atom weighted vectors are used in the pbkp_rediction of aquatic toxicity of

Palabras claves:

aggregation operator, Aquatic toxicity, Atom weighted vector, molecular descriptor, multiple linear regression, Variability analysis

Garit J., Green J.R., Oscar Martínez Santiago, Stephen Jones Barigye, Yoan Martínez López, Yovani Marrero-Ponce

State of the art review and report of new tool for drug discovery

Abstract: Background: There are a great number of tools that can be used in QSAR/QSPR studies; they are implem

Palabras claves:

aggregation, Atomic weighted vector, multiple linear regression, Operator, principal components analysis, QSAR, variability

Caballero Y., Garit J., Millán-Cabrera R., Quintana J.M., Stephen Jones Barigye, Torrens F., Yoan Martínez López, Yovani Marrero-Ponce