Skip to content

PAINS filter
Compare
Choose a tag to compare
@swansonk14 swansonk14 released this 08 Jul 17:39
· 9 commits to main since this release
v_1.0.9
74706e4
This commit was signed with the committer’s verified signature.
swansonk14
GPG key ID: A0208720A4593AA6
Verified
Learn about vigilant mode.

Adding filters for PAINS and other unwanted substructures as the "pains_plus" property in chemfunc compute_properties.

Assets 2
Loading