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The Cambridge Structural Database

The Cambridge Structural Database (CSD) contains a complete record of all published organic and metal–organic small-molecule crystal structures. The database has been in operation for over 50 years and continues to be the primary means of sharing structural chemistry data and knowledge across discip...

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Detalles Bibliográficos
Autores principales: Groom, Colin R., Bruno, Ian J., Lightfoot, Matthew P., Ward, Suzanna C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4822653/
https://www.ncbi.nlm.nih.gov/pubmed/27048719
http://dx.doi.org/10.1107/S2052520616003954
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author Groom, Colin R.
Bruno, Ian J.
Lightfoot, Matthew P.
Ward, Suzanna C.
author_facet Groom, Colin R.
Bruno, Ian J.
Lightfoot, Matthew P.
Ward, Suzanna C.
author_sort Groom, Colin R.
collection PubMed
description The Cambridge Structural Database (CSD) contains a complete record of all published organic and metal–organic small-molecule crystal structures. The database has been in operation for over 50 years and continues to be the primary means of sharing structural chemistry data and knowledge across disciplines. As well as structures that are made public to support scientific articles, it includes many structures published directly as CSD Communications. All structures are processed both computationally and by expert structural chemistry editors prior to entering the database. A key component of this processing is the reliable association of the chemical identity of the structure studied with the experimental data. This important step helps ensure that data is widely discoverable and readily reusable. Content is further enriched through selective inclusion of additional experimental data. Entries are available to anyone through free CSD community web services. Linking services developed and maintained by the CCDC, combined with the use of standard identifiers, facilitate discovery from other resources. Data can also be accessed through CCDC and third party software applications and through an application programming interface.
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spelling pubmed-48226532016-04-28 The Cambridge Structural Database Groom, Colin R. Bruno, Ian J. Lightfoot, Matthew P. Ward, Suzanna C. Acta Crystallogr B Struct Sci Cryst Eng Mater Feature Articles The Cambridge Structural Database (CSD) contains a complete record of all published organic and metal–organic small-molecule crystal structures. The database has been in operation for over 50 years and continues to be the primary means of sharing structural chemistry data and knowledge across disciplines. As well as structures that are made public to support scientific articles, it includes many structures published directly as CSD Communications. All structures are processed both computationally and by expert structural chemistry editors prior to entering the database. A key component of this processing is the reliable association of the chemical identity of the structure studied with the experimental data. This important step helps ensure that data is widely discoverable and readily reusable. Content is further enriched through selective inclusion of additional experimental data. Entries are available to anyone through free CSD community web services. Linking services developed and maintained by the CCDC, combined with the use of standard identifiers, facilitate discovery from other resources. Data can also be accessed through CCDC and third party software applications and through an application programming interface. International Union of Crystallography 2016-04-01 /pmc/articles/PMC4822653/ /pubmed/27048719 http://dx.doi.org/10.1107/S2052520616003954 Text en © Colin R. Groom et al. 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Feature Articles
Groom, Colin R.
Bruno, Ian J.
Lightfoot, Matthew P.
Ward, Suzanna C.
The Cambridge Structural Database
title The Cambridge Structural Database
title_full The Cambridge Structural Database
title_fullStr The Cambridge Structural Database
title_full_unstemmed The Cambridge Structural Database
title_short The Cambridge Structural Database
title_sort cambridge structural database
topic Feature Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4822653/
https://www.ncbi.nlm.nih.gov/pubmed/27048719
http://dx.doi.org/10.1107/S2052520616003954
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