Documentos de Pérez M.A.C. | REDI

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Filtros aplicados

Área de conocimiento: "Relación cuantitativa estructura-actividad"

Subtipo de publicación

Publisher

Chemometrics and Intelligent Laboratory Systems(2)

Journal of Chemical Information and Modeling(1)

Área temáticas

Química analítica(2)

Dibujo técnico, materiales peligrosos(1)

Química física(1)

Área de conocimiento

Ciencias de la computación(2)

Año de Publicación

Origen

Palabras Claves

Antimicrobial drugs(1)

Carcinogenic potency(1)

LOO and LGO cross-validation(1)

Markov chains(1)

Nitrosocompounds(1)

Application of the replacement method as a novel variable selection strategy in QSAR. 1. Carcinogenic potential

Abstract: The carcinogenic potency (TD50) of a set of 62 nitrosocompounds is pbkp_redicted, applying the QSAR

Palabras claves:

Carcinogenic potency, LOO and LGO cross-validation, Nitrosocompounds, Orthogonalization, Replacement method, Variable selection

Castro E.A., Morales-Helguera A., Natalia Dias Soeiro Cordeiro M., Pablo R. Duchowicz, Perez González M., Pérez M.A.C.

Multi-target QSPR assemble of a Complex Network for the distribution of chemicals to biphasic systems and biological tissues

Abstract: Chemometrics, that based pbkp_rediction on the probability of chemical distribution to different sys

Palabras claves:

antibacterial compounds, Antimicrobial drugs, complex networks, Markov chains, Partition coefficient, QSPR, Spectral moments, tissue distribution, topological indices

Agüero-Chapin G., Castañeda-Cancio N., del Río M., González‐díaz H., Maykel Cruz-Monteagudo, Pérez M.A.C., Uriarte E.

Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands

Abstract: Telomeres and telomerase are key players in tumorogenesis. Among the various strategies proposed for

Palabras claves:

Borges F., Bourdoncle A., Castillo-González D., Cesar Paz-y-Miño, De Rache A., Eduardo Tejera, Garrigues T., Guédin A., Introcaso A., Mangiatordi G.F., Maykel Cruz-Monteagudo, Mergny J.L., Natalia Dias Soeiro Cordeiro M., Nicolotti O., Pallardó F., Pérez M.A.C., Pérez-Machado G.