Failed parsing SMILES about dlkcat HOT 3 CLOSED

If you use the substrate SMILES as the input, definitely no such kind of warning or error. While if your predicted Kcat is "None", maybe you need to check the previous issue and solution here: #5.

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Hi, it works fine from my side either with the substrate name Naphthalene-1,6-diol and the substrate SMILEs C1=CC2=C(C=CC(=C2)O)C(=C1)O. If you still have this issue, I suggest you check the input.tsv file by opening it using excel, you may mistakenly use space rather than the tab as the delimiter.

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Hi Feiran and Le,

Thanks for your response!

I just realized I made a stupid mistake by forgetting to put "index=False" when writing tsv file using pandas, which results in an index column as the first column. It's all good now after adding it.

Sorry for bothering you :)

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