Documentos de Thu H.L.T. | REDI

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Mostrando 4 resultados de: 4

Filtros aplicados

Palabras Claves: "Machine learning"

Subtipo de publicación

Publisher

Letters in Drug Design and Discovery(2)

Medicinal Chemistry Research(1)

SAR and QSAR in Environmental Research(1)

Área temáticas

Ciencias de la computación(2)

Programación informática, programas, datos, seguridad(2)

Dirección general(1)

Enfermedades(1)

Área de conocimiento

Aprendizaje automático(3)

Descubrimiento de fármacos(2)

Farmacología(2)

Ciencias de la computación(1)

Año de Publicación

Origen

Palabras Claves

ToMoCoMD-CARDD software(2)

Atom-based linear indices(1)

Atom-based quadratic index(1)

Classification and regression model(1)

Atom based linear index descriptors in QSAR-machine learning classifiers for the pbkp_rediction of ubiquitin-proteasome pathway activity

Abstract: Abstract: This report showed the use of the atom-based linear index together with different classic

Palabras claves:

Atom-based linear indices, Machine learning, QSAR, ToMoCoMD-CARDD software, Ubiquitin-proteasome pathway inhibitors

Garit J., Gerardo M. Casañola-Martin, Pham-The H., Thu H.L.T.

Analysis of proteasome inhibition pbkp_rediction using atom-based quadratic indices enhanced by machine learning classification techniques

Abstract: In this work the use of 2D atom-based quadratic indices is shown in the pbkp_rediction of proteasome

Palabras claves:

Atom-based quadratic index, Classification and regression model, Machine learning, Proteasome inhibition, QSAR, ToMoCoMD-CARDD software

Abad C., Garit J., Gerardo M. Casañola-Martin, Pérez-Giménez F., Thu H.L.T., Torrens F., Yovani Marrero-Ponce

A two QSAR way for antidiabetic agents targeting using α-amylase and α-glucosidase inhibitors: Model parameters settings in artificial intelligence techniques

Abstract: This work showed the use of 0-2D Dragon molecular descriptors in the pbkp_rediction of α-amylase and

Palabras claves:

classification model, dragon descriptor, Machine learning, QSAR., α-amylase, α-Glucosidase

Amilkar Puris, Gerardo M. Casañola-Martin, Hai P.T., Karel Diéguez-Santana, Rivera-Borroto O.M., Thu H.L.T.

Quantitative structure–activity relationship analysis and virtual screening studies for identifying HDAC2 inhibitors from known HDAC bioactive chemical libraries

Abstract: Histone deacetylases (HDAC) are emerging as promising targets in cancer, neuronal diseases and immun

Palabras claves:

chemoinformatics, Histone deacetylase inhibitor, Machine learning, quantitative structure–activity relationship, Virtual Screening

Gerardo M. Casañola-Martin, Karel Diéguez-Santana, Ngoc N.T., Nguyen-Hai N., Pham-The H., Thu H.L.T., Vu-Duc L.