You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
SMARTS component-level grouping used to group dot-disconnected fragments, e.g.: ([#8].[#8]) match molecules that contain two oxygens that are within the same component ( e.g. O=O and OCCO but NOT O.CCO)
Due to bug in rsmiles_loader group loaded as separate molecules.
Next code print "incorrect" instead of "correct":
SMARTS component-level grouping used to group dot-disconnected fragments, e.g.:
([#8].[#8])
match molecules that contain two oxygens that are within the same component ( e.g. O=O and OCCO but NOT O.CCO)Due to bug in rsmiles_loader group loaded as separate molecules.
Next code print "incorrect" instead of "correct":
The text was updated successfully, but these errors were encountered: