data_curation_workflow's People
data_curation_workflow's Issues
Organozinc compounds not treated as organometallic
Organozinc compounds are detected as "unusual elements". The RuleEngine node with following Metanode detecting different metals should contain "Zn" as well.
Help getting it to work?
Hi, I'm interested in resolving tautomers! Can you help me get your knime example working? I'm following the directions to the best of my ability, but it seems like my input format is wrong. Can you say whats wrong? I followed the README.
My excel file looks like this:
ID Name CAS_NO
8868 Ethyl Acetoacetate 141-97-9
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