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Atom based linear index descriptors in QSAR-machine learning classifiers for the pbkp_rediction of ubiquitin-proteasome pathway activity
ArticleAbstract: Abstract: This report showed the use of the atom-based linear index together with different classicPalabras claves:Atom-based linear indices, Machine learning, QSAR, ToMoCoMD-CARDD software, Ubiquitin-proteasome pathway inhibitorsAutores:Garit J., Gerardo M. Casañola-Martin, Pham-The H., Thu H.L.T.Fuentes:scopusQuantitative structure–activity relationship analysis and virtual screening studies for identifying HDAC2 inhibitors from known HDAC bioactive chemical libraries
ArticleAbstract: Histone deacetylases (HDAC) are emerging as promising targets in cancer, neuronal diseases and immunPalabras claves:chemoinformatics, Histone deacetylase inhibitor, Machine learning, quantitative structure–activity relationship, Virtual ScreeningAutores:Gerardo M. Casañola-Martin, Karel Diéguez-Santana, Ngoc N.T., Nguyen-Hai N., Pham-The H., Thu H.L.T., Vu-Duc L.Fuentes:googlescopus