RDkit Discussion Group,
My apologies in advance if my request is not appropriate for this
discussion group.
Given a small molecule that might have some resemblance to natural
products,
can someone suggest a free, comprehensive, PYTHON/RDkit searchable database
of natural products that might be suitable for similarity and substructure
searching.
I am aware of a few websites that permit searching on the website. If
possible,
I would like to programmatically search by running a PYTHON/RDkit script on my
local machine and then return the structures of related molecules to my local
script.
I would prefer not having to download and store a huge database.
Also, if possible, it would be important to return the organism(s) that
creates
the natural product. Pathway information would be also very, very helpful.
I greatly welcome comments and suggestions.
Thank you.
Regards,
Jim Metz
Northwestern University
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