RDKIT MQN molecular descriptors

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1

Hello,

I just need some clarification about MQN[1;42] descriptors which are available in "RDKIT Descriptor Calculation" node. Does a list exist of descriptors with description ?

Thank you in advance for you time.

Baptiste

2

It's in a publication:

DOI: 10.1002/cmdc.200900317
Classification of Organic Molecules by Molecular Quantum Numbers

I'm not sure I'm allowed to copy the table from that paper here due to copyright so I suggest you search for that paper yourself.

Simpliefied its abotu atom counts, bond counts, polarity counts and topology counts.

3

Hi,

Thanks a lot.

Baptiste

4

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