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Hi,
Thank you for your beautiful tool.
I have been trying it and point it would be cool changing is the ordering of the lists so that it is the right one in all three class_results, superclass_results and pathway_results.
Here is an example of a result I got:
| smiles | class | superclass | pathway | glycoside | fp1 | fp2 |
|---|---|---|---|---|---|---|
| Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C | ['Abietane diterpenoids', 'Naphthoquinones'] | ['Naphthalenes', 'Diterpenoids'] | ['Polyketides', 'Terpenoids'] | False | ... | ... |
It would be great to have ['Naphthoquinones', 'Abietane diterpenoids']
The website has the same issue.
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