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      STITCH 4: integration of protein–chemical interactions with user data

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          Abstract

          STITCH is a database of protein–chemical interactions that integrates many sources of experimental and manually curated evidence with text-mining information and interaction predictions. Available at http://stitch.embl.de, the resulting interaction network includes 390 000 chemicals and 3.6 million proteins from 1133 organisms. Compared with the previous version, the number of high-confidence protein–chemical interactions in human has increased by 45%, to 367 000. In this version, we added features for users to upload their own data to STITCH in the form of internal identifiers, chemical structures or quantitative data. For example, a user can now upload a spreadsheet with screening hits to easily check which interactions are already known. To increase the coverage of STITCH, we expanded the text mining to include full-text articles and added a prediction method based on chemical structures. We further changed our scheme for transferring interactions between species to rely on orthology rather than protein similarity. This improves the performance within protein families, where scores are now transferred only to orthologous proteins, but not to paralogous proteins. STITCH can be accessed with a web-interface, an API and downloadable files.

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          Most cited references27

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          Gene Ontology: tool for the unification of biology

          Genomic sequencing has made it clear that a large fraction of the genes specifying the core biological functions are shared by all eukaryotes. Knowledge of the biological role of such shared proteins in one organism can often be transferred to other organisms. The goal of the Gene Ontology Consortium is to produce a dynamic, controlled vocabulary that can be applied to all eukaryotes even as knowledge of gene and protein roles in cells is accumulating and changing. To this end, three independent ontologies accessible on the World-Wide Web (http://www.geneontology.org) are being constructed: biological process, molecular function and cellular component.
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            McKusick's Online Mendelian Inheritance in Man (OMIM®)

            McKusick's Online Mendelian Inheritance in Man (OMIM®; http://www.ncbi.nlm.nih.gov/omim), a knowledgebase of human genes and phenotypes, was originally published as a book, Mendelian Inheritance in Man, in 1966. The content of OMIM is derived exclusively from the published biomedical literature and is updated daily. It currently contains 18 961 full-text entries describing phenotypes and genes. To date, 2239 genes have mutations causing disease, and 3770 diseases have a molecular basis. Approximately 70 new entries are added and 700 entries are updated per month. OMIM® is expanding content and organization in response to shifting biological paradigms and advancing biotechnology.
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              The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo-and Bioinformatics

              The Chemistry Development Kit (CDK) is a freely available open-source Java library for Structural Chemo-and Bioinformatics. Its architecture and capabilities as well as the development as an open-source project by a team of international collaborators from academic and industrial institutions is described. The CDK provides methods for many common tasks in molecular informatics, including 2D and 3D rendering of chemical structures, I/O routines, SMILES parsing and generation, ring searches, isomorphism checking, structure diagram generation, etc. Application scenarios as well as access information for interested users and potential contributors are given.
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                Author and article information

                Journal
                Nucleic Acids Res
                Nucleic Acids Res
                nar
                nar
                Nucleic Acids Research
                Oxford University Press
                0305-1048
                1362-4962
                January 2014
                28 November 2013
                28 November 2013
                : 42
                : D1 , Database issue
                : D401-D407
                Affiliations
                1Biotechnology Center, TU Dresden, 01062 Dresden, Germany, 2Institute of Molecular Life Sciences, University of Zurich and Swiss Institute of Bioinformatics, Winterthurerstrasse 190, 8057 Zurich, Switzerland, 3Novo Nordisk Foundation Center for Protein Research, Faculty of Health Sciences, University of Copenhagen, 2200 Copenhagen N, Denmark, 4European Molecular Biology Laboratory, Meyerhofstrasse 1, 69117 Heidelberg, Germany and 5Max-Delbrück-Centre for Molecular Medicine, Robert-Rössle-Strasse 10, 13092 Berlin, Germany
                Author notes
                *To whom correspondence should be addressed. Tel: +49 6221 387 8526; Fax: +49 6221 387 8517; Email: bork@ 123456embl.de
                Correspondence may also be addressed to Michael Kuhn. Tel: +49 351 463 40063; Fax: +49 351 463 40061; Email: michael.kuhn@ 123456biotec.tu-dresden.de
                Correspondence may also be addressed to Lars J. Jensen. Tel: +45 353 25025; Fax: +45 353 25001; Email: lars.juhl.jensen@ 123456cpr.ku.dk
                Article
                gkt1207
                10.1093/nar/gkt1207
                3964996
                24293645
                6814078b-a271-42a5-9bd3-a6f91dca2bfb
                © The Author(s) 2013. Published by Oxford University Press.

                This is an Open Access article distributed under the terms of the Creative Commons Attribution License ( http://creativecommons.org/licenses/by/3.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.

                History
                : 30 September 2013
                : 1 November 2013
                : 4 November 2013
                Page count
                Pages: 7
                Categories
                II. Protein sequence and structure, motifs and domains
                Custom metadata
                1 January 2014

                Genetics
                Genetics

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