George Papadatos
George Papadatos
Provide an empty postgres schema with RDKit cartridge, ready to be populated by the data feed client. Will need to install the client and resolve all its dependencies first.
Read from the surechembl map file, filter and calculate MCS based on the new FMCS code.
as a way to promote the use of mychembl and hopefully get nice notebooks to include in future versions. Original idea by Mark.
although only WO, EP, US and JP are annotated - maybe byproduct of test? See also: https://www.surechembl.org/document/GB-2448808-A