A Public Domain Dataset for Real-Life Human Activity Recognition Using Smartphone Sensors.

In recent years, human activity recognition has become a hot topic inside the scientific community. The reason to be under the spotlight is its direct application in multiple domains, like healthcare or fitness. Additionally, the current worldwide use of smartphones makes it particularly easy to get this kind of data from people in a non-intrusive and cheaper way, without the need for other wearables. In this paper, we introduce our orientation-independent, placement-independent and subject-independent human activity recognition dataset. The information in this dataset is the measurements from the accelerometer, gyroscope, magnetometer, and GPS of the smartphone. Additionally, each measure is associated with one of the four possible registered activities: inactive, active, walking and driving. This work also proposes asupport vector machine (SVM) model to perform some preliminary experiments on the dataset. Considering that this dataset was taken from smartphones in their actual use, unlike other datasets, the development of a good model on such data is an open problem and a challenge for researchers. By doing so, we would be able to close the gap between the model and a real-life application.

Correction: Garcia-Gonzalez, D.; Rivero, D.; Fernandez-Blanco, E.; Luaces, M.R. A Public Domain Dataset for Real-Life Human Activity Recognition Using Smartphone Sensors. Sensors 2020, 20, 2200.

The authors wish to make the following corrections to this paper [...].

Classification of signaling proteins based on molecular star graph descriptors using Machine Learning models.

Signaling proteins are an important topic in drug development due to the increased importance of finding fast, accurate and cheap methods to evaluate new molecular targets involved in specific diseases. The complexity of the protein structure hinders the direct association of the signaling activity with the molecular structure. Therefore, the proposed solution involves the use of protein star graphs for the peptide sequence information encoding into specific topological indices calculated with S2SNet tool. The Quantitative Structure-Activity Relationship classification model obtained with Machine Learning techniques is able to predict new signaling peptides. The best classification model is the first signaling prediction model, which is based on eleven descriptors and it was obtained using the Support Vector Machines-Recursive Feature Elimination (SVM-RFE) technique with the Laplacian kernel (RFE-LAP) and an AUROC of 0.961. Testing a set of 3114 proteins of unknown function from the PDB database assessed the prediction performance of the model. Important signaling pathways are presented for three UniprotIDs (34 PDBs) with a signaling prediction greater than 98.0%.

Artificial intelligence in paediatrics: Current events and challenges.

This article examines the use of artificial intelligence (AI) in the field of paediatric care within the framework of the 7P medicine model (Predictive, Preventive, Personalized, Precise, Participatory, Peripheral and Polyprofessional). It highlights various applications of AI in the diagnosis, treatment and management of paediatric diseases as well as the role of AI in prevention and in the efficient management of health care resources and the resulting impact on the sustainability of public health systems. Successful cases of the application of AI in the paediatric care setting are presented, placing emphasis on the need to move towards a 7P health care model. Artificial intelligence is revolutionizing society at large and has a great potential for significantly improving paediatric care.

Optimization of indirect wastewater characterization using led spectrophotometry: a comparative analysis of regression, scaling, and dimensionality reduction methods.

LED spectrophotometry is a robust technique for the indirect characterization of wastewater pollutant load through correlation modeling. To tackle this issue, a dataset with 1300 samples was collected, from both raw and treated wastewater from 45 wastewater treatment plants in Spain and Chile collected over 4 years. The type of regressor, scaling, and dimensionality reduction technique and nature of the data play crucial roles in the performance of the processing pipeline. Eighty-four pipelines were tested through exhaustive experimentation resulting from the combination of 7 regression techniques, 3 scaling methods, and 4 possible dimensional reductions. Those combinations were tested on the prediction of chemical oxygen demand (COD) and total suspended solids (TSS). Each pipeline underwent a tenfold cross-validation on 15 sub-datasets derived from the original dataset, accounting for variations in plants and wastewater types. The results point to the normalization of the data followed by a conversion through the PCA to finally apply a Random Forest Regressor as the combination which stood out These results highlight the importance of modeling strategies in wastewater management using techniques such as LED spectrophotometry.

Random Forest classification based on star graph topological indices for antioxidant proteins.

Aging and life quality is an important research topic nowadays in areas such as life sciences, chemistry, pharmacology, etc. People live longer, and, thus, they want to spend that extra time with a better quality of life. At this regard, there exists a tiny subset of molecules in nature, named antioxidant proteins that may influence the aging process. However, testing every single protein in order to identify its properties is quite expensive and inefficient. For this reason, this work proposes a model, in which the primary structure of the protein is represented using complex network graphs that can be used to reduce the number of proteins to be tested for antioxidant biological activity. The graph obtained as a representation will help us describe the complex system by using topological indices. More specifically, in this work, Randic's Star Networks have been used as well as the associated indices, calculated with the S2SNet tool. In order to simulate the existing proportion of antioxidant proteins in nature, a dataset containing 1999 proteins, of which 324 are antioxidant proteins, was created. Using this data as input, Star Graph Topological Indices were calculated with the S2SNet tool. These indices were then used as input to several classification techniques. Among the techniques utilised, the Random Forest has shown the best performance, achieving a score of 94% correctly classified instances. Although the target class (antioxidant proteins) represents a tiny subset inside the dataset, the proposed model is able to achieve a percentage of 81.8% correctly classified instances for this class, with a precision of 81.3%.

Automatic assessment of Alzheimer's disease diagnosis based on deep learning techniques.

Early detection is crucial to prevent the progression of Alzheimer's disease (AD). Thus, specialists can begin preventive treatment as soon as possible. They demand fast and precise assessment in the diagnosis of AD in the earliest and hardest to detect stages. The main objective of this work is to develop a system that automatically detects the presence of the disease in sagittal magnetic resonance images (MRI), which are not generally used. Sagittal MRIs from ADNI and OASIS data sets were employed. Experiments were conducted using Transfer Learning (TL) techniques in order to achieve more accurate results. There are two main conclusions to be drawn from this work: first, the damages related to AD and its stages can be distinguished in sagittal MRI and, second, the results obtained using DL models with sagittal MRIs are similar to the state-of-the-art, which uses the horizontal-plane MRI. Although sagittal-plane MRIs are not commonly used, this work proved that they were, at least, as effective as MRI from other planes at identifying AD in early stages. This could pave the way for further research. Finally, one should bear in mind that in certain fields, obtaining the examples for a data set can be very expensive. This study proved that DL models could be built in these fields, whereas TL is an essential tool for completing the task with fewer examples.

Inteligencia artificial en pediatría: actualidad y retos / Artificial intelligence in paediatrics: Current events and challenges

Se examina el uso de la inteligencia artificial (IA) en el campo de la atención a la salud pediátrica dentro del marco de la «Medicina de las 7P» (Predictiva, Preventiva, Personalizada, Precisa, Participativa, Periférica y Poliprofesional). Se destacan diversas aplicaciones de la IA en el diagnóstico, el tratamiento y el control de enfermedades pediátricas, así como su papel en la prevención y en la gestión eficiente de los recursos médicos con su repercusión en la sostenibilidad de los sistemas públicos de salud. Se presentan casos de éxito de la aplicación de la IA en el ámbito pediátrico y se hace un gran énfasis en la necesidad de caminar hacia la Medicina de las 7P. La IA está revolucionando la sociedad en general ofreciendo un gran potencial para mejorar significativamente el cuidado de la salud en pediatría.(AU)

This article examines the use of artificial intelligence (AI) in the field of paediatric care within the framework of the 7P medicine model (Predictive, Preventive, Personalized, Precise, Participatory, Peripheral and Polyprofessional). It highlights various applications of AI in the diagnosis, treatment and management of paediatric diseases as well as the role of AI in prevention and in the efficient management of health care resources and the resulting impact on the sustainability of public health systems. Successful cases of the application of AI in the paediatric care setting are presented, placing emphasis on the need to move towards a 7P health care model. Artificial intelligence is revolutionizing society at large and has a great potential for significantly improving paediatric care.(AU)

Artificial neuron-glia networks learning approach based on cooperative coevolution.

Artificial Neuron-Glia Networks (ANGNs) are a novel bio-inspired machine learning approach. They extend classical Artificial Neural Networks (ANNs) by incorporating recent findings and suppositions about the way information is processed by neural and astrocytic networks in the most evolved living organisms. Although ANGNs are not a consolidated method, their performance against the traditional approach, i.e. without artificial astrocytes, was already demonstrated on classification problems. However, the corresponding learning algorithms developed so far strongly depends on a set of glial parameters which are manually tuned for each specific problem. As a consequence, previous experimental tests have to be done in order to determine an adequate set of values, making such manual parameter configuration time-consuming, error-prone, biased and problem dependent. Thus, in this paper, we propose a novel learning approach for ANGNs that fully automates the learning process, and gives the possibility of testing any kind of reasonable parameter configuration for each specific problem. This new learning algorithm, based on coevolutionary genetic algorithms, is able to properly learn all the ANGNs parameters. Its performance is tested on five classification problems achieving significantly better results than ANGN and competitive results with ANN approaches.

Prediction of Nucleotide Binding Peptides Using Star Graph Topological Indices.

The nucleotide binding proteins are involved in many important cellular processes, such as transmission of genetic information or energy transfer and storage. Therefore, the screening of new peptides for this biological function is an important research topic. The current study proposes a mixed methodology to obtain the first classification model that is able to predict new nucleotide binding peptides, using only the amino acid sequence. Thus, the methodology uses a Star graph molecular descriptor of the peptide sequences and the Machine Learning technique for the best classifier. The best model represents a Random Forest classifier based on two features of the embedded and non-embedded graphs. The performance of the model is excellent, considering similar models in the field, with an Area Under the Receiver Operating Characteristic Curve (AUROC) value of 0.938 and true positive rate (TPR) of 0.886 (test subset). The prediction of new nucleotide binding peptides with this model could be useful for drug target studies in drug development.

Improving enzyme regulatory protein classification by means of SVM-RFE feature selection.

Enzyme regulation proteins are very important due to their involvement in many biological processes that sustain life. The complexity of these proteins, the impossibility of identifying direct quantification molecular properties associated with the regulation of enzymatic activities, and their structural diversity creates the necessity for new theoretical methods that can predict the enzyme regulatory function of new proteins. The current work presents the first classification model that predicts protein enzyme regulators using the Markov mean properties. These protein descriptors encode the topological information of the amino acid into contact networks based on amino acid distances and physicochemical properties. MInD-Prot software calculated these molecular descriptors for 2415 protein chains (350 enzyme regulators) using five atom physicochemical properties (Mulliken electronegativity, Kang-Jhon polarizability, vdW area, atom contribution to P) and the protein 3D regions. The best classification models to predict enzyme regulators have been obtained with machine learning algorithms from Weka using 18 features. K* has been demonstrated to be the most accurate algorithm for this protein function classification. Wrapper Subset Evaluator and SVM-RFE approaches were used to perform a feature subset selection with the best results obtained from SVM-RFE. Classification performance employing all the available features can be reached using only the 8 most relevant features selected by SVM-RFE. Thus, the current work has demonstrated the possibility of predicting new molecular targets involved in enzyme regulation using fast theoretical algorithms.

Automatic seizure detection based on star graph topological indices.

The recognition of seizures is very important for the diagnosis of patients with epilepsy. The seizure is a process of rhythmic discharge in brain and occurs rarely and unpredictably. This behavior generates a need of an automatic detection of seizures by using the signals of long-term electroencephalographic (EEG) recordings. Due to the non-stationary character of EEG signals, the conventional methods of frequency analysis are not the best alternative to obtain good results in diagnostic purpose. The present work proposes a method of EEG signal analysis based on star graph topological indices (SGTIs) for the first time. The signal information, such as amplitude and time occurrence, is codified into invariant SGTIs which are the basis for the classification models that can discriminate the epileptic EEG records from the non-epileptic ones. The method with SGTIs and the simplest linear discriminant methods provide similar results to those previously published, which are based on the time-frequency analysis and artificial neural networks. Thus, this work proposes a simpler and faster alternative for automatic detection of seizures from the EEG recordings.

Naïve Bayes QSDR classification based on spiral-graph Shannon entropies for protein biomarkers in human colon cancer.

Fast cancer diagnosis represents a real necessity in applied medicine due to the importance of this disease. Thus, theoretical models can help as prediction tools. Graph theory representation is one option because it permits us to numerically describe any real system such as the protein macromolecules by transforming real properties into molecular graph topological indices. This study proposes a new classification model for proteins linked with human colon cancer by using spiral graph topological indices of protein amino acid sequences. The best quantitative structure-disease relationship model is based on eleven Shannon entropy indices. It was obtained with the Naïve Bayes method and shows excellent predictive ability (90.92%) for new proteins linked with this type of cancer. The statistical analysis confirms that this model allows diagnosing the absence of human colon cancer obtaining an area under receiver operating characteristic of 0.91. The methodology presented can be used for any type of sequential information such as any protein and nucleic acid sequence.

Drug discovery and design for complex diseases through QSAR computational methods.

There is a need for a study of the complex diseases due to their important impact on our society. One of the solutions involves the theoretical methods which are fast and efficient tools that can lead to the discovery of new active drugs specially designed for these diseases. The Quantitative Structure - Activity Relationship models (QSAR) and the complex network theory become important solutions for screening and designing efficient pharmaceuticals by coding the chemical information of the molecules into molecular descriptors. This review presents the most recent studies on drug discovery and design using QSAR of several complex diseases in the fields of Neurology, Cardiology and Oncology.