• Image of Jason Cole

    Dexamethasone briefing - its chemistry and history

    On 16th June news outlets around the world reported the fantastic results seen in trials using dexamethasone in critically ill COVID-19 patients. This quick briefing explores the chemistry and history of this compound, and what could be coming next.

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    Aromatics analyser: your questions answered

    The Aromatics Analyser is a new feature available in Mercury as part of the CSD-Materials and CSD-Enterprise suites. It was launched with our last release 2020.1 in April. Our users have been asking questions during our virtual events, as the What’s Up customer webinar, and we decided to share with you some of the most common questions.

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  • Image of Ilaria Gimondi

    IYPT through Crystals: voices, elements and structures

    Reflections on the IYPT in Crystals project - including the competition winners, educational resources you can use at home, and what's next for the fantastic entries collected from across the community.

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  • Image of Clare Tovee

    May 2020 CSD Data Update

    We are pleased to announce the May 2020 data update of the Cambridge Structural Database (CSD) is now available!  This data update brings you 10,188 new structures (10,697 new entries) and increases the total size of the CSD to over 1,048,000 structures (1,067,000 entries).

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    How to use the Aromatics Analyser

    The Aromatics Analyser feature was released in our 2020.1 update, as part of the CSD-Materials suite. This short video shows you how to use this feature, and how to interpret the results.

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  • Image of Natalie Johnson

    Electron Diffraction Data in the CSD

    In recent years, we have noticed an increase in the number of structures deposited to the Cambridge Structural Database (CSD) that are measured with electron diffraction techniques. As of the beginning of 2020, approximately 50 electron structures have been added to the CSD. Since this field of research is rapidly developing, we thought it timely to investigate all the electron studies in the database to ensure they can be easily located and have worked to identify any structures that were missed during the initial data curation process.

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    CSD Pipeline Pilot protocols – custom analysis without coding

    One of the major developments in the 2020.1 CSD Release is the addition of the CSD Pipeline Pilot component collection, which will allow you to build custom tools for analysing CSD structural data without writing code.

    As well as allowing research to be done faster and more efficiently, this should remove barriers to entry and allow more people to create custom analyses.

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  • Image of Peter Wood

    Molecular Descriptors - key for machine learning in chemistry

    Machine learning is a fast growing area of active research within structural science and it is particularly effective in the crystallographic structural sciences due to the wealth of highly accurate structural data available. A key part of machine learning though is having effective molecular descriptors to represent complex chemical information about molecules and structures into easily machine-interpretable vectors of numbers to feed into machine learning algorithms. 

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    New for 2020.1 release - aromatics analyser in Mercury

    We live in exciting times for Artificial Intelligence (AI) - with the rise of new and easy to implement Machine Learning (ML) algorithms.  Many of us would sooner trust a GPS to take us from point A to point B than consult a map ourselves, and robots are already being used to perform medical procedures. But what do all of these advanced techniques and algorithms mean for us as scientists and how can we use them to advance science?  Presumably, many would ask if AI approaches can help, or even replace scientific experiments?

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  • Image of Carmen Nitsche

    Going virtual – the first CCDC UGM held online!

    A few months ago, watching the news of COVID-19 spreading, we knew it would not be safe to hold our user group meeting at a hotel in Cambridge, MA as planned. Rather than cancelling, we moved this to become a virtual event which went ahead on the same date, 24th April 2020.

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