Resources and website mentioned during the course
http://zinc.docking.org - Free tools for ligand discovery
https://www.ebi.ac.uk/chembl/ - Open access and free med. chemistry SAR data
http://www.ebi.ac.uk/training/online/course/chembl-quick-tour - ChEMBL ‘Quick Tour’ e-learning tutorial from EBI Train Online
pCHEMBL score -this is -log(IC50,Ki,EC50) and attempts to put a number of roughly comparable concentration dependent endpoints on a standard scale. This is a subset of possible measured bioactivities
https://www.ebi.ac.uk/unichem/ - UniChem resource
http://www.ebi.ac.uk/pdbe/ - PDBe (Protein DataBase Europe) is a database of 3D protein structures curated at the EBI
http://advisor.docking.org - Small molecule aggregation historical record database
http://sea.docking.org - Predict the biological targets of small molecules (e.g. from phenotypic hits)
http://eu.wiley.com/WileyCDA/WileyTitle/productCd-3527318526.html - Characterization of Chemical Space
http://smartsview.zbh.uni-hamburg.de/ - SMARTSviewer
http://cactus.nci.nih.gov/chemical/structure Chemical representation converters
https://registration.hinxton.wellcome.ac.uk/display_info.asp?id=386 - Someone asked if we run similar courses to this at EBI. We run this one every year but it is closed for applications this year.
http://www.ebi.ac.uk/training/online/ - EBI Train Online
http://www.slideshare.net/rguha/presentations - Rajashi Guha’s slideshare account. See what he would have presented