The application of Molecular Quantum Similarity Measures (MQSM) to correlate biological activities for three different sets of steroids is reported. A general protocol for the generation of descriptors is detailed, thus covering molecular superposition, electronic density fitting, and quantum similarity calculation issues. Satisfactory Quantitative Structure-Activity Relationship (QSAR) models ...

The aim of this work is to propose an alternative way for wine classification and prediction based on an electronic nose (e-nose) combined with Independent Component Analysis (ICA) as a dimensionality reduction technique, Partial Least Squares (PLS) to predict sensorial descriptors and Artificial Neural Networks (ANNs) for classification purpose. A total of 26 wines from different regions, vari...

Electronic Music Distribution (EMD) is in demand of robust, automatically extracted music descriptors. We introduce a timbral similarity measures for comparing music titles. This measure is based on a Gaussian model of cepstrum coefficients. We describe the timbre extractor and the corresponding timbral similarity relation. We describe experiments in assessing the quality of the similarity rela...

The mechanisms of H2 dissociation on three stoichiometric anatase TiO2 terminations, (001), (100) and (101), have been studied by means density functional theory (PBE+U) calculations. A two-step process was considered: first, into H+ H− pair, second the species migratetion to a neighboring O site, transferring electrons substrate. (001) termination shows lowest activation barriers for hydrogen ...

BACKGROUND AND AIM Beta-adrenergic antagonists have been established as first line treatment in the medical management of hypertension, acute coronary syndrome and other cardiovascular diseases, as well as for the prevention of initial episodes of gastrointestinal bleeding in patients with cirrhosis and esophageal varices, glaucoma, and have recently become the main form of treatment of infanti...

Electronic Music Distribution (EMD) is in demand of robust, automatically extracted music descriptors. We introduce a timbral similarity measures for comparing music titles. This measure is based on a Gaussian model of cepstrum coefficients. We describe the timbre extractor and the corresponding timbral similarity relation. We describe experiments in assessing the quality of the similarity rela...

OBJECTIVE Gather and describe general characteristics of different protocols of risk stratification for cardiac patients undergoing exercise. METHODS We conducted searches in LILACS, IBECS, MEDLINE, Cochrane Library, and SciELO electronic databases, using the following descriptors: Cardiovascular Disease, Rehabilitation Centers, Practice Guideline, Exercise and Risk Stratification in the past...

The Dublin Core Metadata Workshop Series began in 1995 with an invitational workshop which brought together librarians, digital library researchers, content experts, and text-markup experts to promote better discovery standards for electronic resources. The Dublin Core is a 15-element set of descriptors that has emerged from this effort in interdisciplinary and international consensus building....