#564: #564: Chem: Support SMARTS as a public API input

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#564: #564: Chem: Support SMARTS as a public API input #564

Open dskatov opened 2 years ago

dskatov commented 2 years ago

The problem being addressed is that RdKit was found on our samples to be more capable of processing cxsmarts (a MolBlock with a smarts mixin, non-standard format which is though supported by popular sketchers) than regular smarts. This requires a logic where both MolBlock and SMARTS are passed to searchSubstructure.

We need to address this topic somehow in searchSubstructure API. currently this passing is only supported in a package function, being used by substructure filter.

dnillovna commented 4 months ago

This issue has been mirrored in Jira: https://reddata.atlassian.net/browse/GROK-14797

dnillovna commented 2 weeks ago

This issue has been mirrored in Jira: https://reddata.atlassian.net/browse/GROK-16057