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Transforming unstructured text into a formal representation is an important goal of the Semantic Web in order to facilitate the integration and retrieval of information. The construction of Knowledge Graphs (KGs) pursues such an idea, where named entities (real world things) and their relations are extracted from text. In recent years, many approaches for the construction of KGs have been proposed by exploiting Discourse Analysis, Semantic Frames, or Machine Learning algorithms with existing Semantic Web data. Although such approaches are useful for processing taxonomies and connecting beliefs, they provide several linguistic descriptions, which lead to semantic data heterogeneity and thus, complicating data consumption. Moreover, Open Information Extraction (OpenIE) approaches have been slightly explored for the construction of KGs, which provide binary relations representing atomic units of information that could simplify the querying and representation of data. In this paper, we propose an approach to generate KGs using binary relations produced by an OpenIE approach. For such purpose, we present strategies for favoring the extraction and linking of named entities with KG individuals, and additionally, their association with grammatical units that lead to producing more coherent facts. We also provide decisions for selecting the extracted information elements for creating potentially useful RDF triples for the KG. Our results demonstrate that the integration of information extraction units with grammatical structures provides a better understanding of proposition-based representations provided by OpenIE for supporting the construction of KGs. [ABSTRACT FROM AUTHOR]

The optimal selection of chemical features (molecular descriptors) is an essential pre-processing step for the efficient application of computational intelligence techniques in virtual screening for identification of bioactive molecules in drug discovery. The selection of molecular descriptors has key influence in the accuracy of affinity prediction. In order to improve this prediction, we examined a Random Forest (RF)-based approach to automatically select molecular descriptors of training data for ligands of kinases, nuclear hormone receptors, and other enzymes. The reduction of features to use during prediction dramatically reduces the computing time over existing approaches and consequently permits the exploration of much larger sets of experimental data. To test the validity of the method, we compared the results of our approach with the ones obtained using manual feature selection in our previous study (Perez-Sanchez, Cano, and Garcia-Rodriguez, 2014).The main novelty of this work in the field of drug discovery is the use of RF in two different ways: feature ranking and dimensionality reduction, and classification using the automatically selected feature subset. Our RF-based method outperforms classification results provided by Support Vector Machine (SVM) and Neural Networks (NN) approaches. [ABSTRACT FROM AUTHOR]