| Enumerating a virtual library [message #1067] |
Sun, 13 September 2020 08:13  |
amorrison
Messages: 38
Registered: March 2016
|
Member |
|
|
Hi,
After doing a core based SAR analysis I get cores and R-groups for the compounds that are present. What I would like to do would be to then take these R-groups and enumerate them all to build a virtual library of the full R-group matrix, so that I could calculate for example properties of the virtual compounds. Is there any to do this that would avoid having to draw each r-grp and core in a virtual reaction?
Many thanks,
Angus
|
|
|
|
Search
Help
Members
Register
Login
Home
