The theoretical prediction of drug-decorated nanoparticles (DDNPs) has become a very important task in medical applications. For the current paper, Perturbation Theory Machine Learning (PTML) models were built to predict the probability of different pairs of drugs and nanoparticles creating DDNP complexes with anti-glioblastoma activity. PTML models use the perturbations of molecular descriptors of drugs and nanoparticles as inputs in experimental conditions. The raw dataset was obtained by mixing the nanoparticle experimental data with drug assays from the ChEMBL database. Ten types of machine learning methods have been tested. Only 41 features have been selected for 855,129 drug-nanoparticle complexes. The best model was obtained with the Bagging classifier, an ensemble meta-estimator based on 20 decision trees, with an area under the receiver operating characteristic curve (AUROC) of 0.96, and an accuracy of 87% (test subset). This model could be useful for the virtual screening of nanoparticle-drug complexes in glioblastoma. All the calculations can be reproduced with the datasets and python scripts, which are freely available as a GitHub repository from authors.

In this article, we present a system that combines indoor positioning with a compression algorithm for trajectories in the context of a nursing home. Our aim is to gather and effectively represent the location of the residents and caregivers along time, while allowing for efficient access to those data. We briefly show the system architecture that enables the automatic tracking of user’s movements and consequently the gathering of their locations. Then, we present indRep, our compact representation to handle positioning data using grammar-based compression, and provide two basic operations that enable pseudorandom access to the data. Finally, we include experiments that show that indRep is competitive with well-known general-purpose compressors in terms of compression effectiveness and also provides fast access to the compressed data. We expect both features would enable exploitation functionalities even in computers with rather low computational resources.

Geographic Information Systems (GIS) have spread all over our technological environment in the last decade. The inclusion of GPS technologies in everyday portable devices along with the creation of massive shareable geographical data banks has boosted the rise of geoinformatics. Despite the technological maturity of this field, there are still relevant research challenges concerning efficient information storage and representation. One of the most powerful techniques to tackle these issues is designing new Succinct Data Structures (SDS). These structures are defined by three main characteristics: they use a compact representation of the data, they have self-index properties and, as a consequence, they do not need decompression to process the enclosed information. Thus, SDS are not only capable of storing geographical data using as little space as possible, but they can also solve queries efficiently without any previous decompression. This work introduces how SDS can be successfully applied in the GIS context through several novel approaches and practical use cases.