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Can CMPNN be used for molecular substructure feature extraction #3

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@mxqmxqmxq

I'm currently researching the application of Graph Neural Networks (GNN) for feature extraction on molecules, with a particular focus on extracting features from specific molecular substructures. I am considering using the Chemically-aware Message Passing Neural Network (CMPNN), but I am not certain if it is suitable for this task:

  1. Is CMPNN capable of effectively extracting features from specific substructures within a molecule?

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