Here's your monthly update from the home of structural science. This month's newsletter includes some exciting upcoming events, access to our recent customer webinar recording, navigating the crystallographic maze and more!
We hope you enjoy,
The CCDC team
Events to attend
GCC 2019, 15th German Conference on Cheminformatics
November 3-5, Mainz, Germany
We'll be presenting a poster at the 15th German Conference on Chemoinformatics. This meeting covers a wide range of subjects related to the use of computers in chemistry, pharmacy, materials science and biology; from informatics and data science to atomistic modelling, and from fundamental academic research to industrial applications.
We're excited to be joining over 45,000 attendees at the CPhI pharmaceutical exhibition in Frankfurt in November.
CPhI represents each stage of the pharmaceutical supply chain - from APIs, machinery and packaging to outsourcing and biopharmaceuticals. If you'd like to arrange a meeting at this conference, get in touch athello@ccdc.cam.ac.uk.
The joint CCG/IG autumn meeting “By hook or by crook – structural solutions from challenging crystals” will be held at GSK in Stevenage on the 20th November.
AsCA provides a platform for researchers to present their most recent findings and to exchange ideas in frontier research topics in crystallography.
As well as exhibiting and running a workshop at this year's AsCA, we'll also be running an evening event to celebrate reaching one million structures in the Cambridge Structural Database. Attending this conference? Make sure to stop by our booth to collect your ticket for this event.
Growing the FAIR Community at the Intersection of the Geosciences and Pure and Applied Chemistry
The geoscience and chemistry communities have numerous common practices and dependency on data standards. This paper published in Data Intelligence summarizes the recent efforts of the International Union on Pure and Applied Chemistry (IUPAC) and the American Geophysical Union (AGU), in their exploration of approaches to implement the FAIR Guiding Principles in the geoscience and chemistry communities.
In the year we hit one million structures in the Cambridge Structural Database, Matt Lightfoot, Editorial Team Leader at CCDC, talks to Chemistry World about his career navigating around the CSD.
We recently ran the second in our series of customer update webinars.
In this month's webinar we covered the latest updates from CCDC, an interview with CCDC's Head of Strategic Partnerships, Ian Bruno, whilst at RDA's 14th Plenary in Helsinki, and we also took a look at custom feature creation in CSD-CrossMiner and the upcoming new pipeline pilot CSD component collection.
You can access a recording of the presentation below. Sign-up to our November webinar here.
From the community: The CSD - a valuable tool in modern organic synthesis and drug discovery
A Million Crystal Structures: the CSD Contribution in the Designing of Biologically-Active Molecules
We love hearing feedback from users of our tools and services, especially when they share with us how they've used the CSD to advance their research. Prof. Alexander Dömling and Assis. Prof. Constantinos Neochoritis from the University of Crete, tell us how they've used the CSD in their recent research. Read their story.
We've taken a snippet of the recent review by Pete Wood and Robin Taylor 'A Million Crystal Structures: The Whole is Greater than the Sum of Its Parts' and looked at how the CSD has contributed to the design of biologically-active molecules. Read more.
CSD Heroes
In the year that the CSD hit one million structures we wanted to highlight and thank some of the most prolific contributors to the database. Our CSD Heroes this month include Judith Howard, Frank Fronczek, Alexandra Martha Zoya Slawin and Mike Hurthouse! Read more here.
We've had some great contributions from the communuty to our 'IYPT in Crystals' project. Click below to take a look at some of latest elements to enter our interactive periodic table, and find out some interesting facts about each element and associated crystal structures!
We need you!
If you'd like to volunteer to be part of the team and help contribute to some of the element pages then drop us an email at hello@ccdc.cam.ac.uk with the 'IYPT in Crystals' subject line. As well as being recognised on our contributors page, your input will be vital in helping us develop some invaluable resources for education and the community.
Announcing the winner of the 2019 CSD 3D print contest!
We had some great entries for this year's 3D print contest and it was a tough choice selecting the winner but we are pleased to announce this year’s winning entry is from @VaColomb of cubic octanuclear clusters in a pyrazolate-based Ni-fcu MOF. We thought this 3D printed model of a nickel metal-organic framework was very impressive, incorporating a high degree of complexity and detail. The use of a transparent plastic for the printing media, along with the fine detail and porosity of the structure, results in a visually stunning model!