A5075333616- Computational Drug Discovery Methods
- Machine Learning in Materials Science
- Cholinesterase and Neurodegenerative Diseases
- Trauma Management and Diagnosis
- Medical Imaging and Pathology Studies
- Analytical Chemistry and Chromatography
- Viral Infections and Outbreaks Research
- Heme Oxygenase-1 and Carbon Monoxide
- Antimicrobial Peptides and Activities
- Surgical Sutures and Adhesives
- Chemical Synthesis and Analysis
- Inflammatory Myopathies and Dermatomyositis
- Methemoglobinemia and Tumor Lysis Syndrome
- Crystallography and molecular interactions
- Hepatitis B Virus Studies
- Neonatal Health and Biochemistry
- Viral Infections and Vectors
- Nicotinic Acetylcholine Receptors Study
- Reconstructive Surgery and Microvascular Techniques
- Pericarditis and Cardiac Tamponade
- Phosphodiesterase function and regulation
Institut Català de la Salut
2023
Hospital Universitari Joan XXIII de Tarragona
2023
Centro de Investigaciones Biológicas Margarita Salas
2017-2022
OSF HealthCare
2022
Consejo Superior de Investigaciones Científicas
2017
Quantitative structure-activity relationship modeling using machine learning techniques constitutes a complex computational problem, where the identification of most informative molecular descriptors for predicting specific target property plays critical role. Two main general approaches can be used this procedure: feature selection and learning. In paper, performance comparative study two state-of-art methods related to these is carried out. particular, regression classification models...
Allosteric sites on proteins are targeted for designing more selective inhibitors of enzyme activity and to discover new functions. Acetylcholinesterase (AChE), which is most widely known the hydrolysis neurotransmitter acetylcholine, has a peripheral allosteric subsite responsible amyloidosis in Alzheimer's disease through interaction with amyloid β-peptide. However, AChE plays other non-hydrolytic Here, we identify characterise using computational tools two AChE, have allowed us by virtual...
The Ames mutagenicity test constitutes the most frequently used assay to estimate mutagenic potential of drug candidates. While this employs experimental results using various strains Salmonella typhimurium, vast majority published in silico models for predicting do not take into account individual experiments conducted each strain. Instead, such QSAR are generally trained employing overall labels (i.e., and nonmutagenic). Recently, neural-based combined with multitask learning strategies...
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The Ames mutagenicity test constitutes the most frequently used assay to estimate mutagenic potential of drug candidates. While this employs experimental results using various strains Salmonella typhimurium, vast majority published in silico models for predicting do not take into account individual experiments conducted each strain. Instead, such QSAR are generally trained employing overall labels (i.e. and non-mutagenic). Recently, neural-based combined with multi-task learning strategies...
Introduction: Polymyositis is an autoimmune systemic disease which characterized by chronic weakness and inflammation in skeletal muscle predominantly. Cardiac involvement has been reported a poor prognostic factor. Clinical course 61-year-old male with biopsy proven polymyositis history of cardiac arrest secondary to ventricular fibrillation dual chamber automatic implantable cardioverter defibrillator (AICD) implanted for prevention. He had recurrent PVC-induced causing AICD shocks....