HUMBERTO
GONZALEZ DIAZ
VISITANTE IKERBASQUE
SONIA
ARRASATE GIL
PROFESORADO AGREGADO
Publications dans lesquelles il/elle collabore avec SONIA ARRASATE GIL (33)
2024
-
Identification of Riluzole derivatives as novel calmodulin inhibitors with neuroprotective activity by a joint synthesis, biosensor, and computational guided strategy
Biomedicine and Pharmacotherapy, Vol. 174
-
Implementation of IFPTML Computational Models in Drug Discovery Against Flaviviridae Family
Journal of Chemical Information and Modeling, Vol. 64, Núm. 6, pp. 1841-1852
-
MATEO: intermolecular α-amidoalkylation theoretical enantioselectivity optimization. Online tool for selection and design of chiral catalysts and products
Journal of Cheminformatics, Vol. 16, Núm. 1
-
Machine learning guided prediction of warfarin blood levels for personalized medicine based on clinical longitudinal data from cardiac surgery patients: a prospective observational study
International Journal of Surgery
-
NANO.PTML model for read-across prediction of nanosystems in neurosciences. computational model and experimental case of study
Journal of Nanobiotechnology, Vol. 22, Núm. 1
-
On the additive artificial intelligence-based discovery of nanoparticle neurodegenerative disease drug delivery systems
Beilstein Journal of Nanotechnology, Vol. 15, pp. 535-555
-
OptiMo-LDLr: An Integrated In Silico Model with Enhanced Predictive Power for LDL Receptor Variants, Unraveling Hot Spot Pathogenic Residues
Advanced Science, Vol. 11, Núm. 13
-
Warfarin–A natural anticoagulant: A review of research trends for precision medication
Phytomedicine, Vol. 128
2022
-
Multi-output chemometrics model for gasoline compounding
Fuel, Vol. 310
-
Prediction of Antileishmanial Compounds: General Model, Preparation, and Evaluation of 2-Acylpyrrole Derivatives
Journal of chemical information and modeling, Vol. 62, Núm. 16, pp. 3928-3940
2021
-
MLb-LDLr: A Machine Learning Model for Predicting the Pathogenicity of LDLr Missense Variants
JACC: Basic to Translational Science, Vol. 6, Núm. 11, pp. 815-827
-
Palladium-mediated synthesis and biological evaluation of C-10b substituted Dihydropyrrolo[1,2-b]isoquinolines as antileishmanial agents
European Journal of Medicinal Chemistry, Vol. 220
-
Prediction of anti-glioblastoma drug-decorated nanoparticle delivery systems using molecular descriptors and machine learning
International Journal of Molecular Sciences, Vol. 22, Núm. 21
-
Synthesis, Pharmacological, and Biological Evaluation of 2-Furoyl-Based MIF-1 Peptidomimetics and the Development of a General-Purpose Model for Allosteric Modulators (ALLOPTML)
ACS Chemical Neuroscience, Vol. 12, Núm. 1, pp. 203-215
2020
-
MCDcalc: Markov chain molecular descriptors calculator for medicinal chemistry
Current Topics in Medicinal Chemistry, Vol. 20, Núm. 4, pp. 305-317
-
PTML Model for Selection of Nanoparticles, Anticancer Drugs, and Vitamins in the Design of Drug-Vitamin Nanoparticle Release Systems for Cancer Cotherapy
Molecular pharmaceutics, Vol. 17, Núm. 7, pp. 2612-2627
-
PTML Model of ChEMBL Compounds Assays for Vitamin Derivatives
ACS Combinatorial Science, Vol. 22, Núm. 3, pp. 129-141
-
Perturbation-theory machine learning (PTML) multilabel model of the CheMBL dataset of preclinical assays for antisarcoma compounds
ACS Omega, Vol. 5, Núm. 42, pp. 27211-27220
-
Predicting coated-nanoparticle drug release systems with perturbation-theory machine learning (PTML) models
Nanoscale, Vol. 12, Núm. 25, pp. 13471-13483
-
Prediction of antimalarial drug-decorated nanoparticle delivery systems with random forest models
Biology, Vol. 9, Núm. 8, pp. 1-15