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Error: I'M A TEAPOT #106

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ravinpoudel opened this issue Dec 18, 2023 · 5 comments
Closed

Error: I'M A TEAPOT #106

ravinpoudel opened this issue Dec 18, 2023 · 5 comments

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@ravinpoudel
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For some of the molecules i am getting Error: I'M A TEAPOT . How to resolve this issues or understand why/what casuse this error?

<!doctype html>
<html lang=en>
<title>418 I&#39;m a teapot</title>
<h1>I&#39;m a teapot</h1>
<p>There was an unknown error.</p>
Screenshot 2023-12-18 at 1 47 52 PM
@iwwwish
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iwwwish commented Dec 19, 2023

Hi @ravinpoudel

There seems to be an issue with the cyp450 models. The API calls should work for the rest of the models though. We are looking into this right now and will update here when we fix the issue.

Best,
Vishal

@ravinpoudel
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@iwwwish Hi Vishal, Thanks for the quick response. Looking forward to the solution.

@ravinpoudel
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@iwwwish I am also getting error for pampabbb
Smiles: C=C(NC(=O)C(C)NC(=O)CNC(=O)C(NC(=O)C1CSCC(NC(=O)C(=C)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C2CSCC(N)C(=O)NC(=C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(=CC)C(=O)NC(C(C)C)C(=O)N2)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)N1)C(C)CC)C(=O)NC(CC(C)C)C(=O)NC1CSCC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(N)=O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(=C)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)CC)NC(=O)CNC(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C(C)NC1=O
Screenshot 2023-12-20 at 5 31 45 PM

@iwwwish
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iwwwish commented Dec 21, 2023 via email

@iwwwish
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iwwwish commented Jan 4, 2024

Hi @ravinpoudel

The issue with CYP models has been fixed by the team. The API should work now for all models. I have tried the molecule you used in your first question: O=c1cc(N2CCCOCC2)oc2c1ccc1ccccc12 and you can see the result below. For the second molecule, I believe the error is indeed during RDKit descriptor calculation as it only fails when PAMPA BBB model is selected. Hope this helps. I will close the issue for now but please feel free to reopen if you have this or any other issue.

Best,
Vishal

API example

@iwwwish iwwwish closed this as completed Jan 4, 2024
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@iwwwish @ravinpoudel