• Help to shape the new CSD Sketcher

    We are delighted to announce the alpha release of a new CSD Sketcher as part of WebCSD, our online access to the CSD. Whilst you can continue to use the existing features of WebCSD for your research, we hope you’ll take the opportunity to try our new Sketcher and give us feedback on its future development.

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  • August 2020.2 CSD Data Update

    We are pleased to announce the August 2020 data update of the Cambridge Structural Database (CSD) is now available! This third data update of the year brings you an additional 12,269 new structures (12,694 new database entries) and increases the total size of the CSD to over 1,060,000 structures (1,080,000 entries), with 27,298 entries from journal articles published in 2020.

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  • Classifying metal-organic frameworks MOFs for search and screening

    The recent cover of Chemical Science (issue 32) showcased a paper by Moghadam et al. highlighting our new approach to classifying MOF structures for better searching and high-throughput screening.

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  • Drugs, pesticides and COVID-19 drug subsets - new in 2020.2 release

    The 2020.2 CSD Release includes another 12,000+ CSD entries since the last data update in June and takes the total size of the CSD to over 1.08 million entries. Whilst this impressive rate of growth is testament to the ongoing efforts of scientists around the world, who publish and share the outcomes of their research with the community, the sheer size and diversity of structures in the CSD can be somewhat daunting.

    To help researchers investigate insights into particular categories of compounds, the 2020.2 CSD Release has extended the range of available subsets, with new lists of structures focused on drugs, pesticides and those structures that have been highlighted as being of interest in the fight against COVID-19. These new CSD subsets add to the existing subsets that include ‘best representative’ lists for statistical analysis of the CSD, subsets of metal-organic frameworks (MOFs) and CSD entries containing information on atomic anisotropic displacement parameters (ADPs; otherwise known as thermal ellipsoids).

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  • Data improvements in the 2020.0 CSD Release

    The CSD - The world’s essential database of crystal structures

    After celebrating the huge milestone for structural chemistry with the addition of the millionth structure into the CSD in June 2019, the 2020.0 CSD Release now contains 1,034,174 entries and 1,016,168 unique structures. That means an increase of more than 60,000 entries, and we are well on our way to the next million!

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  • Insights into drug-like compounds from crystal data

    As the size of the Cambridge Structural Database (CSD) has just passed one million structures, it seems an appropriate time to look at some of the applications of this ever-growing resource. Whilst the CSD is certainly useful as a central record of past data collections, perhaps the more significant benefits are the insights that can be gained from looking at this mass of data as a whole. In this blog, I’ll show some examples of what can be discovered from statistics generated from the CSD when looking at drug-like compounds. A paper written by CCDC colleagues with researchers from Pfizer and AstraZeneca (Journal of Pharmaceutical Sciences, Volume 108, Issue 5, 2019, Pages 1655-1662, https://doi.org/10.1016/j.xphs.2018.12.011) gives an in-depth statistical analysis of drug compounds in the CSD.

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  • CSD Data Curation – the challenge of a million structures

    In a recent blog - CSD Data Curation - The Human Touch -  we’ve described the work that goes on when new structures are added to the Cambridge Structural Database (CSD). However, It’s important to realise that this isn’t the end of the story -  as we get close to adding the one millionth structure to the CSD, it seems like an appropriate time to describe some of the processes we undertake at the CCDC to ensure that the data we make available to scientists continues to empower and inform their research long after it’s initial deposition.

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  • Countdown to 1 million

    The recent August update to the Cambridge Structural Database (CSD) brought the total number of entries in the database to over 950,000, meaning the next big milestone will be 1 million. This is a huge achievement of the crystallographic community, and in the months leading up to this milestone we’ll be demonstrating the value that can be gained from this crystal data and looking to what can be accomplished in the future.

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  • Not so Weird and Wonderful?

    One of the benefits of my role at the CCDC is the chance to look at some of the latest scientific research taking place, as I review structures before they are added to the Cambridge Structural Database (CSD). Occasionally I come across a structure that looks quite unusual at first glance, so much so that it’s hard to resist taking a closer look.

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  • Scientific Symposium and New Software for Crystallographers and Scientists Worldwide to Celebrate 50 Years of the Cambridge Structural Database

    01 July 2015, Cambridge, UK and Piscataway, NJ, USA

    The Cambridge Crystallographic Data Centre (CCDC) celebrates 50 years of the Cambridge Structural Database (CSD) with a Scientific Symposium and the launch of new software in the CSD-System suite. CSD-System provides full web-based access (WebCSD) to the world’s most comprehensive collection of crystal structure data, plus 3D searching, new advanced visualisations, intermolecular interaction analysis, geometry analysis, and support for tailored application building through the new CSD Python API.

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