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greglandrum / rdkit-blog

RDKit blog
https://greglandrum.github.io/rdkit-blog/
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rdkit-blog/posts/2023-04-17-what-are-the-vsa-descriptors #9

Open utterances-bot opened 1 year ago

utterances-bot commented 1 year ago

RDKit blog - What are the VSA Descriptors?

Making sense of something “uninterpretable”

https://greglandrum.github.io/rdkit-blog/posts/2023-04-17-what-are-the-vsa-descriptors.html

josejimenezluna commented 1 year ago

Thanks for the shout-out to our work @greglandrum

EBjerrum commented 1 year ago

Thanks, very informative! I needed to look into these some time ago, and was able to dig this up via the wayback machine: https://web.archive.org/web/20190218182414/http://www.chemcomp.com/journal/vsadesc.htm, maybe it will be useful for others that also need to understand the _VSA descriptors.

greglandrum commented 1 year ago

Thanks for pulling that out @EBjerrum. I will also add that link to the blog post.

BryarTuc commented 7 months ago

Can this be used to decipher Estate_VSA descriptors as well?