How to: Use Cambridge Structural Database Subsets

CSD subsets are specially curated collections of structures, typically related by certain chemical or physical properties, or other available data, chosen to make it easier to find structures that would be difficult to search for by other means. In this video, you can find out about the different CSD subsets available, how to view and search them in ConQuest, and how to access them in Mercury. You can also find out about CSD classifiers as a complementary way to uncover entries belonging to different chemical classes. In this video: -00:04 Introduction to the Cambridge Structure Database (CSD) -01:12 Subsets of the CSD – what they are, how they are chosen and which subsets are available -02:16 Searching for structures in multiple subsets using ConQuest by hitlist combinations -04:22 Searching using subsets as a search restriction in ConQuest -05:05 Searching subsets in the CSD Python API -05:31 Viewing subsets in Mercury -05:57 Using CSD classifiers as an alternative way to search different chemical classes For further information about CSD subsets, you might find the following helpful: • https://www.ccdc.cam.ac.uk/solutions/about-the-csd/csd-subsets/#current-subsets for general information about the CSD Subsets available • https://support.ccdc.cam.ac.uk/support/solutions/articles/103000306242-how-many-mofs-are-there-in-the-csd- for further information about Metal-Organic Framework (MOF) subsets; https://doi.org/10.1039/D0SC01297A and https://doi.org/10.1021/acs.chemmater.7b00441 provide additional details If you would like to suggest a subset for future consideration, please get in contact with us via social media or contact us here https://www.ccdc.cam.ac.uk/contact-us/ . For more resources on how to use ConQuest to search CSD Subsets, see our CSD-Core self-guided workhop page https://www.ccdc.cam.ac.uk/community/training-and-learning/workshop-materials/csd-core-workshops/ . Follow us on social media and subscribe to our YouTube channel. Instagram: @ccdc_cambridge Bluesky: @ccdc.cam.ac.uk Facebook: Cambridge Crystallographic Data Centre (CCDC) (ccdc.cambridge)