To welcome the release of our CSD MOF collection, 10,636 structures available for free for academic research, we are answering some common questions on MOFs with the help of some of our team and collaborators.
A few times in a career, if you are lucky, you get to participate in a project that offers a chance to make a real difference. For me, that has been my involvement with the Pistoia Alliance Chemical Safety Library (CSL). When BMS in 2015 proposed the idea of a community crowdsourced reaction safety database, support and funding flowed in. We were able to launch a serious and sustained effort in collective community safety that continues to this day.
We are pleased to announce that the February 2021 data update of the Cambridge Structural Database (CSD) is now available! This data update is available to users of our CSD software portfolio bringing you 20,058 new structures (20,698 new entries) and increasing the total size of the CSD to over 1.1 million structures.
For this CSD Educators blog it is my pleasure to welcome Dr Samuel Tetteh from the University of Cape Coast, Ghana. Samuel holds a PhD in Chemistry from the University of Cape Coast and is now a teacher and researcher at the University. I first met Samuel at a workshop in Kumasi in Ghana in 2016 and it has been fantastic to see how Samuel has gone on to use the Cambridge Structural Database to provide a more visual and engaging way to teach structural chemistry to his students. Samuel also employs the CSD in his research involving the study of structural and bonding properties of transition metal complexes and has published a number of research papers in this area. In this blog Samuel will tell us more about his teaching experiences and how crystal structures have helped him revolutionalise how he teaches chemistry. Samuel will also be speaking at our Educators UGM in March so if you want to find out more or have any questions for Samuel then you can register here.
Here we summarise a publication from our collaboration with Pfizer, which demonstrates the use of the healthcheck methodology to reduce risk and select the most stable form across three different APIs.
Here we summarise a recent paper in which CSD-CrossMiner was used to explore further alternate scaffolds of a synthesized library of drug-like compounds based on a little explored multicomponent reaction (MCR).
Here we spotlight a recent publication which shows how CSD data supported a team from Novartis and NanoMEGA to analyse a metastable form of the antihistamine drug Loratadine. Part of our series highlighting examples of our data and software in use around the world.
Here we highlight one paper which used fragment based screening to identify new inhibitors with improved pharmacokinetic properties. Part of our series highlighting examples of CCDC tools in action by scientists around the world.
Here we highlight a paper which used virtual screening to identify drugs which could be repurposed to inhibit SARS-CoV-2 MPro (COVID-19). Part of our series highlighting examples of CCDC tools in action by scientists around the world.
Here we highlight a paper which employed SMILES to mine the Cambridge Structural Database to identify hydrate-anhydrate pairs. Part of our series highlighting examples of CCDC tools in action by scientists around the world.