Hello, I have a couple of questions. 1. I was wondering what are the detailed calculation methods on both _CalcMolWt (python: from the rdMolDescriptors module) vs CalcExactMW (CPP)? Could you help me direct to literature on how these are calculated?
2. _CalcMolWt can be found in the QED.py code, which calculates MW for the calculation of QED score. I am personally trying to create a CPP version of the QED score but I don't see a _CalcMolWt function for the CPP verison. All I can find in the API documentation is the CalcExactMW function. Do you know what is the equivalent CPP MW calculator that is found in the QED.py code of RDKit? Thanks for your help Steven.
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