Hello!
I have calculated fingerprints using RDKIT fingerprints but when using excel writer to export them i cant because theyre bit-vectors. Is there any way to export the fingerprints columns calculated into an excel sheet?
Thank you in advance
Sorry I do not have access to the computer to send you a workflow example right now. You would just need to convert the bit vector column into string format before sending it to the -CSV writer- node. Only double check after conversion that the generated strings are of same length as your bit vector, i.e same number of bits. You could do the conversion using the rename column node and chosing string as new type.
Hope it helps.
Best
Ael
It worked! Thank you
My pleasure to help.
Best
Ael
There are various fingerprint convertor nodes in the Vernalis community plugin which should be able to convert the fingerprints into a form which can be written in Excel.
Steve
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