I’m using the “RDKIT Descriptor Calculation” Node and it’s generating several descriptors, some of which are the following and I would like to know what they stand for or indicate:
Also, Is there any manual I can get those detailed information about the descriptors from?
Thank you in advance.
Most of the descriptors are detailed along with the paper reference where they are really thoroughly described, although not that easy to understand all of them. Those that do not come with a paper reference are most of them obvious (e.g. NumSpiroAtoms) and come with a short clear enough explanation (e.g. atoms shared between rings that share exactly one atom) or can be found by doing a short internet search.
Other links with explanations on molecular descriptors: