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 |