Hi, I am trying a topological descriptor called autocorrection function. As an example, can you explain how this function is implemented in rdkit. what atomic properties are used for calculation?
for Butane I get these values using rdkit.Chem.rdMolDescriptors.CalcAUTOCORR3D function. Kindly tell me how it is calculated How can I reproduce the values manually (on pen and paper). Thank-you Regards, Rohit modee
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