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Computers in Biology and Medicine(1)
Current Topics in Medicinal Chemistry(1)
Journal of Ethnopharmacology(1)
Letters in Drug Design and Discovery(1)
SAR and QSAR in Environmental Research(1)
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Ciencias de la computación(2)
Farmacología y terapéutica(2)
Programación informática, programas, datos, seguridad(2)
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A 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:scopusEthnopharmacology, phytochemistry and pharmacology of the genus Hedyosmum (Chlorantaceae): A review
ReviewAbstract: Ethnopharmacological relevance: The genus Hedyosmum (family: Chloranthaceae) represents an interestiPalabras claves:Hedyosmum, Pharmacology, phytochemistry, traditional usesAutores:Baldisserotto A., Buso P., Buzzi R., Karel Diéguez-Santana, Manfbkp_redini S., Pérez A., Radice M., Sacchetti G., Tasambay A., Vertuani S.Fuentes:googlescopusMachine learning in antibacterial discovery and development: A bibliometric and network analysis of research hotspots and trends
ArticleAbstract: Machine learning (ML) methods are used in cheminformatics processes to pbkp_redict the activity of aPalabras claves:Antibacterial agents, Antibiotic Resistance, Bibliometric Analysis, Computer model in drug design, Machine learning, Network AnalysisAutores:González‐díaz H., Karel Diéguez-SantanaFuentes:googlescopusLearning from multiple classifier systems: Perspectives for improving decision making of QSAR models in medicinal chemistry
ReviewAbstract: Quantitative Structure - Activity Relationship (QSAR) modeling has been widely used in medicinal chePalabras claves:Artificial Neural Network, Ensemble design, Histone deacetylase, Histone deacetylase (HDAC) inhibitors, Multiple classifier system, Quantitative structure –activity relationships (QSAR)Autores:Garit J., Gerardo M. Casañola-Martin, Hai D.T., Karel Diéguez-Santana, Nam N.H., Nga D.V., Pham-The H., Thu H.L.T., Yovani Marrero-PonceFuentes:googlescopusQuantitative 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