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                    "tag": "Protein structure databases"
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            "abstractNote": "Motivation: Research in the biomedical domain can have a major impact through open sharing of the data produced. For this reason, it is important to be able to identify instances of data production and deposition for potential re-use. Herein, we report on the automatic identification of data deposition statements in research articles., Results: We apply machine learning algorithms to sentences extracted from full-text articles in PubMed Central in order to automatically determine whether a given article contains a data deposition statement, and retrieve the specific statements. With an Support Vector Machine classifier using conditional random field determined deposition features, articles containing deposition statements are correctly identified with 81% F-measure. An error analysis shows that almost half of the articles classified as containing a deposition statement by our method but not by the gold standard do indeed contain a deposition statement. In addition, our system was used to process articles in PubMed Central, predicting that a total of 52 932 articles report data deposition, many of which are not currently included in the Secondary Source Identifier [si] field for MEDLINE citations., Availability: All annotated datasets described in this study are freely available from the NLM/NCBI website at http://www.ncbi.nlm.nih.gov/CBBresearch/Fellows/Neveol/DepositionDataSets.zip, Contact: aurelie.neveol@nih.gov; john.wilbur@nih.gov; zhiyong.lu@nih.gov, Supplementary Information: Supplementary data are available at Bioinformatics online.",
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            "abstractNote": "Background: Dataset submissions are growingexponentially. Links between datasetsubmissions and primary literature that describethe data collection are useful for many reasons:rich documentation, proper attribution, improvedinformation retrieval, and enhanced text/dataintegration for analysis. Unfortunately, manydatabase submissions do not include primarycitation links, as database submissions are oftenmade prior to publication. We suggest thatautomated tools can be developed to helpidentify links between dataset submissions andthe primary literature. These tools require fulltext to differentiate cases of data sharing fromdata reuse and other contexts. In this study, weexplore the possibility that deep analysis of fulltext may not be necessary, thereby enabling thequerying of all reports in PubMed Central.Methods: We trained machine learning treeand rule-based classifiers on full-text openaccessarticle unigram vectors, with theexistence of a primary citation link from NCBI'sGene Expression Omnibus (GEO) databasesubmission records as the binary output class.We manually combined and simplified theclassifier trees and rules to create a querycompatible with the interface for PubMedCentral.Results: The query identified 40% of non-OAarticles with dataset submission links from GEO(recall), and 65% of the returned articles withoutdataset submission links were manually judgedto include statements of dataset deposit despitehaving no link from the database (applicableprecision).Conclusion: We hope this work inspires futureenhancements, and highlights the opportunitiesfor simple full-text queries in PubMed Centralgiven the mandated influx of NIH-fundedresearch reports.",
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            "abstractNote": "We report on the implementation of the Spectral Game, a web-based game where players try to match molecules to various forms of interactive spectra including 1D/2D NMR, Mass Spectrometry and Infrared spectra. Each correct selection earns the player one point and play continues until the player supplies an incorrect answer. The game is usually played using a web browser interface, although a version has been developed in the virtual 3D environment of Second Life. Spectra uploaded as Open Data to ChemSpider in JCAMP-DX format are used for the problem sets together with structures extracted from the website. The spectra are displayed using JSpecView, an Open Source spectrum viewing applet which affords zooming and integration. The application of the game to the teaching of proton NMR spectroscopy in an undergraduate organic chemistry class and a 2D Spectrum Viewer are also presented.",
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