Meaning of RDKit descriptors


I am not a chemist and would like a brief description of what the RDKit descriptors mean. For example, what is peoe_VSA9? Layman's terms would be nice. Where can I find that?


I am not sure, but it looks like they are based descriptors defined in a book titled:

"Derivation and Applications of Molecular Descriptors Based on Approximate Surface Area"

It is available from Springer (Along with ISBN and DOI data):

Hi Anne,

There are descriptions of many of the RDKit descriptors, along with links to the literature for some, here:

Looking at that list, I see that it's been a while since it was updated. 

To answer your specific question: the  _VSA descriptors are members of a descriptor class that can be quite useful for building statistical models but that are essentially uninterpretable.[1]



[1] This isn't strictly true, if one invests considerable time in it, it's possible to come up with extremely hand-wavy interpretations. In my experience the effort has almost never been worth it.

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