Information retrieval and text mining technologies for chemistry

Efficient access to chemical information contained in scientific literature, patents, technical reports, or the web is a pressing need shared by researchers and patent attorneys from different chemical disciplines. Retrieval of important chemical information in most cases starts with finding relevant documents for a particular chemical compound or family. Targeted retrieval of chemical documents is closely connected to the automatic recognition of chemical entities in the text, which commonly involves the extraction of the entire list of chemicals mentioned in a document, including any associated information. In this Review, we provide a comprehensive and in-depth description of fundamental concepts, technical implementations, and current technologies for meeting these information demands. A strong focus is placed on community challenges addressing systems performance, more particularly CHEMDNER and CHEMDNER patents tasks of BioCreative IV and V, respectively. Considering the growing interest in the construction of automatically annotated chemical knowledge bases that integrate chemical information and biological data, cheminformatics approaches for mapping the extracted chemical names into chemical structures and their subsequent annotation together with text mining applications for linking chemistry with biological information are also presented. Finally, future trends and current challenges are highlighted as a roadmap proposal for research in this emerging field.A.V. and M.K. acknowledge funding from the European Community’s Horizon 2020 Program (project reference: 654021 - OpenMinted). M.K. additionally acknowledges the Encomienda MINETAD-CNIO as part of the Plan for the Advancement of Language Technology. O.R. and J.O. thank the Foundation for Applied Medical Research (FIMA), University of Navarra (Pamplona, Spain). This work was partially funded by Consellería de Cultura, Educación e Ordenación Universitaria (Xunta de Galicia), and FEDER (European Union), and the Portuguese Foundation for Science and Technology (FCT) under the scope of the strategic funding of UID/BIO/04469/2013 unit and COMPETE 2020 (POCI-01-0145-FEDER-006684). We thank Iñigo Garciá -Yoldi for useful feedback and discussions during the preparation of the manuscript.info:eu-repo/semantics/publishedVersio

Lignin – an alternative precursor for sustainable and cost-effective automotive carbon fiber

Lightweight design is an essential part of the overall Volkswagen strategy for reducing the CO2 emission. The use of carbon fiber reinforced polymers (CFRP) offers an enormous lightweight potential in comparison to aluminum, enabling a weight reduction, if a load-adapted (unidirectional) CFRP-design is used, of up to 60% in automobile parts without a degradation of the functionalities. Today, the use of CFRP is limited in mass series applications of the automotive industry by the cost of the conventional carbon fiber precursor Poly-Acrylic-Nitrile (PAN). Fifty percent of the cost of a conventional carbon fiber already belongs to the cost of the PAN precursor. The analysis of lignin as an alternative precursor shows clearly a significant reduction in the cost of CFRP and reduction of CO2 emission during carbon fiber production. This fact is essential to make carbon fibers ready for a mainstream use within the automotive industry. Key aspects are: the examination and quantification of lignin as an alternative precursor, the optimization of the manufacturing processes, the characterization and quantification of the properties of the novel carbon fibers within an established material pre-validation process and a final economic efficiency and sustainability analysis. Furthermore, the process ability and demonstrators as well as the suitability for high volume production of the developed processes are main issues for successful implementation in future lightweight vehicle concepts

Comparative effectiveness of enalapril, lisinopril and ramipril in the treatment of patients with chronic heart failure. A propensity score matched cohort study

Background: Angiotensin converting enzyme inhibitors (ACEIs) are recommended as first-line therapy in patients with heart failure with reduced ejection fraction (HFrEF). The comparative effectiveness of different ACEIs is not known. Methods and results: 4,723 out-patients with stable HFrEF prescribed either enalapril, lisinopril, or ramipril were identified from three registries in Norway, England, and Germany. In three separate matching procedures, patients were individually matched with respect to both dose equivalents and their respective propensity scores for ACEI treatment. Conclusion: Our results suggest that enalapril, lisinopril and ramipril are equally effective in the treatment of patients with HFrEF when given at equivalent doses