greglandrum/rdkit-blog

rdkit-blog/posts/2023-04-17-what-are-the-vsa-descriptors

Opened this issue · 4 comments

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

Thanks for the shout-out to our work @greglandrum

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.

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

Can this be used to decipher Estate_VSA descriptors as well?