Hi Hannes,
Both CustomAlerts and MatchingSubstructure scoring components flag the presence of specific smarts patterns, but only MatchingSubstructure requires a chirality parameter.
I'm attempting to use MatchingSubstructure in staged learning but have been unable to satisfy the use_chirality parameter.
Do you have an example "[stage.scoring.component.MatchingSubstructure]" ?
Al
indazole
commented
8 months ago
Hi Hannes, Both CustomAlerts and MatchingSubstructure scoring components flag the presence of specific smarts patterns, but only MatchingSubstructure requires a chirality parameter. I'm attempting to use MatchingSubstructure in staged learning but have been unable to satisfy the use_chirality parameter. Do you have an example "[stage.scoring.component.MatchingSubstructure]" ? Al