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Article(3)
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Chemical Biology and Drug Design(1)
Journal of Chemical Information and Modeling(1)
Letters in Drug Design and Discovery(1)
Comparison of combinatorial clustering methods on pharmacological data sets represented by machine learning-selected real molecular descriptors
ArticleAbstract: Cluster algorithms play an important role in diversity related tasks of modern chemoinformatics, witPalabras claves:Autores:García-De La Vega J.M., Grau-Ábalo R.d.C., Rivera-Borroto O.M., Yovani Marrero-PonceFuentes:googlescopusBeyond model interpretability using LDA and decision trees for α-amylase and α-glucosidase inhibitor classification studies
ArticleAbstract: In this report are used two data sets involving the main antidiabetic enzyme targets α-amylase and αPalabras claves:antidiabetic agents, Decision Trees, linear discriminant analysis, QSARAutores:Amilkar Puris, Gerardo M. Casañola-Martin, Karel Diéguez-Santana, Pham-The H., Rasulev B., Rivera-Borroto O.M., Thu H.L.T.Fuentes:scopusA two QSAR way for antidiabetic agents targeting using α-amylase and α-glucosidase inhibitors: Model parameters settings in artificial intelligence techniques
ArticleAbstract: This work showed the use of 0-2D Dragon molecular descriptors in the pbkp_rediction of α-amylase andPalabras claves:classification model, dragon descriptor, Machine learning, QSAR., α-amylase, α-GlucosidaseAutores:Amilkar Puris, Gerardo M. Casañola-Martin, Hai P.T., Karel Diéguez-Santana, Rivera-Borroto O.M., Thu H.L.T.Fuentes:scopus