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CSD Communications of the Cambridge Structural Database

The Cambridge Structural Database (CSD) is a collection of over one million experimental three-dimensional structures obtained through crystallographic analyses. These structures are determined by crystallographers worldwide and undergo curation and enhancement by scientists at the Cambridge Crystal...

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Autores principales: Ferrence, Gregory M., Tovee, Clare A., Holgate, Stephen J.W., Johnson, Natalie T., Lightfoot, Matthew P., Nowakowska-Orzechowska, Kamila L., Ward, Suzanna C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9812213/
https://www.ncbi.nlm.nih.gov/pubmed/36598498
http://dx.doi.org/10.1107/S2052252522010545
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author Ferrence, Gregory M.
Tovee, Clare A.
Holgate, Stephen J.W.
Johnson, Natalie T.
Lightfoot, Matthew P.
Nowakowska-Orzechowska, Kamila L.
Ward, Suzanna C.
author_facet Ferrence, Gregory M.
Tovee, Clare A.
Holgate, Stephen J.W.
Johnson, Natalie T.
Lightfoot, Matthew P.
Nowakowska-Orzechowska, Kamila L.
Ward, Suzanna C.
author_sort Ferrence, Gregory M.
collection PubMed
description The Cambridge Structural Database (CSD) is a collection of over one million experimental three-dimensional structures obtained through crystallographic analyses. These structures are determined by crystallographers worldwide and undergo curation and enhancement by scientists at the Cambridge Crystallographic Data Centre (CCDC) prior to their addition to the database. Though the CSD is substantial and contains widespread chemical diversity across organic and metal–organic compounds, it is estimated that a significant proportion of crystal structures determined are not published or shared through the peer-reviewed journal mechanism. To help overcome this, scientists can publish structures directly through the database as CSD Communications and these structural datasets are made publicly available alongside structures associated with scientific articles. CSD Communications contribute to the collective crystallographic knowledge as nearly two thirds are novel structures that are not otherwise available in the scientific literature. The primary benefits of sharing data through CSD Communications include the long-term preservation of scientific data, the strengthening of a widely data-mined world repository (the CSD), and the opportunity for scientists to receive recognition for their work through a formal and citable data publication. All CSD Communications are assigned unique digital object identifiers (DOIs). Contributions as CSD Communications currently comprise about 3.89% of the total CSD entries. Each individual CSD Communication is free to view and retrieve from the CCDC website.
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spelling pubmed-98122132023-01-09 CSD Communications of the Cambridge Structural Database Ferrence, Gregory M. Tovee, Clare A. Holgate, Stephen J.W. Johnson, Natalie T. Lightfoot, Matthew P. Nowakowska-Orzechowska, Kamila L. Ward, Suzanna C. IUCrJ Topical Reviews The Cambridge Structural Database (CSD) is a collection of over one million experimental three-dimensional structures obtained through crystallographic analyses. These structures are determined by crystallographers worldwide and undergo curation and enhancement by scientists at the Cambridge Crystallographic Data Centre (CCDC) prior to their addition to the database. Though the CSD is substantial and contains widespread chemical diversity across organic and metal–organic compounds, it is estimated that a significant proportion of crystal structures determined are not published or shared through the peer-reviewed journal mechanism. To help overcome this, scientists can publish structures directly through the database as CSD Communications and these structural datasets are made publicly available alongside structures associated with scientific articles. CSD Communications contribute to the collective crystallographic knowledge as nearly two thirds are novel structures that are not otherwise available in the scientific literature. The primary benefits of sharing data through CSD Communications include the long-term preservation of scientific data, the strengthening of a widely data-mined world repository (the CSD), and the opportunity for scientists to receive recognition for their work through a formal and citable data publication. All CSD Communications are assigned unique digital object identifiers (DOIs). Contributions as CSD Communications currently comprise about 3.89% of the total CSD entries. Each individual CSD Communication is free to view and retrieve from the CCDC website. International Union of Crystallography 2023-01-01 /pmc/articles/PMC9812213/ /pubmed/36598498 http://dx.doi.org/10.1107/S2052252522010545 Text en © Gregory M. Ferrence et al. 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Topical Reviews
Ferrence, Gregory M.
Tovee, Clare A.
Holgate, Stephen J.W.
Johnson, Natalie T.
Lightfoot, Matthew P.
Nowakowska-Orzechowska, Kamila L.
Ward, Suzanna C.
CSD Communications of the Cambridge Structural Database
title CSD Communications of the Cambridge Structural Database
title_full CSD Communications of the Cambridge Structural Database
title_fullStr CSD Communications of the Cambridge Structural Database
title_full_unstemmed CSD Communications of the Cambridge Structural Database
title_short CSD Communications of the Cambridge Structural Database
title_sort csd communications of the cambridge structural database
topic Topical Reviews
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9812213/
https://www.ncbi.nlm.nih.gov/pubmed/36598498
http://dx.doi.org/10.1107/S2052252522010545
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