RDkit benchmarking

#1

Hello,
I have a list of peptides that contain missing residues in the middle of their chains. I would like to get from them the RDkit molecular descriptors and/or fingerprints.
Is that possible to get? What is the safest method to deal with these truncated peptides?
Thanks,

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#2

Hi @greglandrum,
Could you please help me with my query above.
Thanks,

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#3

I’m not quite sure what your input looks like.
Can you please share a sample workflow with one or more of the “truncated peptides”?

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#4

Hi @greglandrum,
I created a new post where I described better the problem with the workflow and the molecule:


Thanks,

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closed #5
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