From: Double-head transformer neural network for molecular property prediction
Methods | Lipophilicity | PDBbind |
---|---|---|
MolNet [1] | \(0.655\pm 0.036\) | \(1.920\pm 0.070\) |
RF on Morgan [19] | \(0.908\pm 0.052\) | \(2.011\pm 0.240\) |
FFN on Morgan [19] | \(1.045\pm 0.042\) | \(2.737\pm 0.518\) |
FFN on Morgan Counts [19] | \(1.003\pm 0.068\) | \(3.015\pm 0.636\) |
FFN on RDKit [19] | \(0.792\pm 0.032\) | \(1.842\pm 0.252\) |
DMPNN [19] | \(0.648\pm 0.057\) | \(1.858\pm 0.300\) |
Ours | \({{ {0.590}}}\pm {{ {0.038}}}\) | \({{{1.599}}}\pm {{ {0.199}}}\) |