Calculating similarity to one query compound [message #62] |
Wed, 22 April 2015 21:43 ![Go to next message Go to previous message](/forum/theme/myThemeWithHFCSS/images/down.png) |
PaulFinn
Messages: 1 Registered: April 2015
|
Junior Member |
|
|
Hi,
I would like to calculate the similarity of the compounds in a table to another compound (either a compound already in the table or one in a SD file) and create a new column with these values. I cannot find a way to do this. The chemsim function maybe should do this in syntax A, but the meaning of idcode in the help text is unclear and I have not been able to get it to work.
Regards,
Paul
|
|
|