Learning Resources
Workshop material
W1: Crystallography and Physical Property Prediction (PDF)
This workshop explores crystallography and predicting NMR spectra using:- ACD/I-Lab
- Cambridge Structural Database (CSD)
- Inorganic Crystal Structure Database (ICSD)
Download the PDF of the workshop material here.
W2: Properties and Reactions of Organic Systems (PDF)
This workshop investigates the properties and reactions of organic systems with:- Chemicalize
- ChemSpider
- SPRESIweb
Download the PDF of the workshop material here.
Factsheets
ACD/I-Lab (PDF)
Available Chemicals Directory (PDF)
Cambridge Structural Database (CSD) (PDF)
Chemicalize (PDF)
Videos
ACD/I-Lab
Webinar outlining ACD/I-Lab, an online structure-based prediction engine and database of physicochemical properties and spectral information.
Additional, more in depth tutorials are available: "Names from structures", "NMR spectra prediction and databases" and "Physicochemical property prediction" tutorial
Chemicalize
This webinar introduces Chemicalize, a public web resource developed by ChemAxon which uses ChemAxon's Name to Structure parsing to identify chemical structures on webpages and other text. Structure based predictions and a substructure/similarity search interface are also provided.
Cambridge Structural Database (CSD)
Video showing how to use ConQuest and Mercury to navigate the Cambridge Structural Database (CSD). Other videos regarding the CSD, including introductions to IsoStar and WebCSD, can be found here on the CCDC YouTube channel.
