Important Notice: Our web hosting provider recently started charging us for additional visits, which was unexpected. In response, we're seeking donations. Depending on the situation, we may explore different monetization options for our Community and Expert Contributors. It's crucial to provide more returns for their expertise and offer more Expert Validated Answers or AI Validated Answers. Learn more about our hosting issue here.

Where can I find examples of InChIs?

April 26, 2017examples InChIs

0

Posted

Where can I find examples of InChIs?

1 Answer

0

Posted

We have generated InChIs for ca.250,000 molecules from the NCI database and 9585 molecules from the KEGG database. These can be found at: • http://wwmm.ch.cam.ac.uk/data/nci • http://wwmm.ch.cam.ac.uk/data/kegg Other InChIs can be found at: • PubChem e.g. http://pubchem.ncbi.nlm.nih.gov/substance/PcsSrv.cgi?sid=177959. • Distributed Structure-Searchable Toxicity (DSSTox) Public Database Network e.g. http://www.epa.gov/nheerl/dsstox/DSSToxDatabases/DBPCAN_WebSiteFiles_1Mar05/DBPCAN_v2a_209_1Mar05.sdf. • More links coming soon…..