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Table 1 The shortened names for combinations of features for SCPINN and MCPINN

From: Multi-channel PINN: investigating scalable and transferable neural networks for drug discovery

Model name Channel type Compound feature Protein feature
\(SC_1\) Single-channel SMILES AA sequence
\(SC_2\) SMILES ProtVec
\(SC_3\) Mol2vec AA sequence
\(SC_4\) Mol2vec ProtVec
\(SC_5\) ECFP AA sequence
\(SC_6\) ECFP ProtVec
\(MC_1\) Multi-channel for protein SMILES AA sequence and ProtVec
\(MC_2\) Mol2vec AA sequence and ProtVec
\(MC_3\) ECFP AA sequence and ProtVec
\(MC_4\) Multi-channel for compound SMILES and Mol2vec AA sequence
\(MC_5\) SMILES and Mol2vec ProtVec
\(MC_6\) SMILES and ECFP AA sequence
\(MC_7\) SMILES and ECFP ProtVec
\(MC_8\) Multi-channel for both features SMILES and Mol2vec AA sequence and ProtVec
\(MC_9\) SMILES and ECFP AA sequence and ProtVec