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Molecular Pharmaceutics(2)
ACS Omega(1)
Current Topics in Medicinal Chemistry(1)
Journal of Chemical Information and Modeling(1)
Multioutput Perturbation-Theory Machine Learning (PTML) Model of ChEMBL Data for Antiretroviral Compounds
ArticleAbstract: Retroviral infections, such as HIV, are, until now, diseases with no cure. Medicine and pharmaceuticPalabras claves:antiretroviral compounds, BIG DATA, CHEMBL, Machine learning, perturbation theoryAutores:Eduardo Tejera, Emilia Vásquez-Domínguez, González‐díaz H., Vinicio Danilo Armijos-JaramilloFuentes:googlescopusNew experimental and computational tools for drug discovery: Medicinal chemistry, molecular docking, and machine learning - Part-VI
OtherAbstract:Palabras claves:Autores:González‐díaz H., Maykel Cruz-MonteagudoFuentes:scopusMachine Learning Study of Metabolic Networks vs ChEMBL Data of Antibacterial Compounds
ArticleAbstract: Antibacterial drugs (AD) change the metabolic status of bacteria, contributing to bacterial death. HPalabras claves:antibacterial compounds, CHEMBL, complex networks, Information Fusion, Machine learning, multidrug-resistant, perturbation theoryAutores:Gerardo M. Casañola-Martin, González‐díaz H., Green J.R., Karel Diéguez-Santana, Rasulev B., Roldán Torres GutiérrezFuentes:googlescopusPerturbation-theory machine learning (PTML) multilabel model of the CheMBL dataset of preclinical assays for antisarcoma compounds
ArticleAbstract: Sarcomas are a group of malignant neoplasms of connective tissue with a different etiology than carcPalabras claves:Autores:Alejandro Cabrera-Andrade, Andrés López-Cortés, Arrasate S., Eduardo Tejera, González‐díaz H., Munteanu C.R., Sierra A.P., Yunierkis Perez-CastilloFuentes:googlescopusPbkp_rediction of Antileishmanial Compounds: General Model, Preparation, and Evaluation of 2-Acylpyrrole Derivatives
ArticleAbstract: In this work, the SOFT.PTML tool has been used to pre-process a ChEMBL dataset of pre-clinical assayPalabras claves:Autores:Arrasate S., Barbolla I., Bernabé Ortega-Tenezaca, Dea-Ayuela M.A., Fundora-Ortiz B., González‐díaz H., Lete E., Santiago C., Sotomayor N.Fuentes:scopus