Verify structure (CDK)

CATEGORY

Input/Output

SOURCE

CDK

DESCRIPTION

Verify that the molecules are valid according to CDK

INPUTS

A dataset of molecules

OUTPUTS

A dataset of molecules

OPTIONS

Filter modeHow to filter results: INCLUDE_PASS, INCLUDE_FAIL, INCLUDE_ALL

ADDITIONAL INFO

Verify that the structures are valid for Chemistry Development Kit. For info see the docs for the RDKit equivalent.