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.
Best
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_resultsandpathway_results.Here is an example of a result I got:
It would be great to have
['Naphthoquinones', 'Abietane diterpenoids']The website has the same issue.
Best