Search
Now showing items 1-10 of 13
Net-Net Auto Machine Learning (AutoML) Prediction of Complex Ecosystems
(Nature Publishing, 2018-08-17)
Biological Ecosystem Networks (BENs) are webs of biological species (nodes) establishing trophic relationships (links). Experimental confirmation of all possible links is difficult and generates a huge volume of information. ...
Gene Prioritization, Communality Analysis, Networking and Metabolic Integrated Pathway to Better Understand Breast Cancer Pathogenesis
(Nature Publishing Group, 2018-11-12)
Consensus strategy was proved to be highly efficient in the recognition of gene-disease association. Therefore, the main objective of this study was to apply theoretical approaches to explore genes and communities directly ...
Novel Dextran-Supported Biological Probes Decorated with Disaccharide Entities for Investigating the Carbohydrate-Protein Interactions of Gal-3.
(Wiley, 2018-11-30)
The quest for novel natural-like biomolecular probes that can be used to gain information on biological recognition events is of topical interest to several scientific areas. In particular, the recognition of carbohydrates ...
Novel asymmetric transformations under covalent organocatalysis
(2018-10-26)
La aminocatálisis se ha convertido en un área de gran interés especialmente para el desarrollo de reacciones químicas estereocontroladas. Esta metodología implica la condensación de aminas primarias o secundarias quirales ...
Phosphine oxides as privileged ligands for Palladium-catalyzed a-arylation and heteroannulation reactions in water
(2018-04-13)
Este trabajo de investigación se centra en el estudio del potencial catalítico de óxidos de fosfina y fuentes de paladio en diferentes transformaciones sintéticas llevadas a cabo en agua. Así, se han sintetizado 1,2-diaril- ...
Recent Advances in Homogeneous Metal-Catalyzed Aerobic C–H Oxidation of Benzylic Compounds
(MDPI, 2018-12-08)
Csp(3)-H oxidation of benzylic methylene compounds is an established strategy for the synthesis of aromatic ketones, esters, and amides. The need for more sustainable oxidizers has encouraged researchers to explore the use ...
Perturbation-Theory and Machine Learning (PTML). Model for High-Throughput Screening of Parham Reactions: Experimental and Theoretical Studies
(American Chemical Society, 2018-06-13)
Machine Learning (ML) algorithms are gaining importance in the processing of chemical information and modelling of chemical reactivity problems. In this work, we have developed a PTML model combining Perturbation-Theory ...
Organocatalytic Transannular Approach to Stereodefined Bicyclo[3.1.0]hexanes
(American Chemical Society, 2018-03-12)
A diastereodivergent approach to highly substituted bicyclo[3.1.0]hexanes has been developed through a transannular alkylation reaction that builds up the bicyclic core employing asymmetric organocatalysis as the tool for ...
Kinetic Resolution of Secondary Allyl Boronates and Their Application in the Synthesis of Homoallylic Amines
(Wiley-VCH, 2018-09-02)
Highly enantioenriched, chromatographically-stable secondary allyl boronates featuring a 1,1,2,2-tetraethyl-1,2-ethanediol fragment (Epin) were obtained by kinetic resolution of their racemic mixtures. The Epin group at ...
Radiolabelling and preclinical evaluation of nanoparticles as drug delivery systems: application to infectious pulmonary diseases.
(2018-12-11)
El trabajo llevado a cabo en esta tesis doctoral se ha dividido en tres partes, que corresponden a los capítulos 3,4 y 5 de la memoria. En la primera parte del trabajo, se presenta el desarrollo de una nueva herramienta ...