Route ranking on Chemical reaction routes (test)
60.3Top-1 AccuracyDeepSets-based model
Evaluation Results
| Method | Links | |
|---|---|---|
| DeepSets-based modelEmbedding=SDF2026.05 | 60.3 | |
| DeepSets-based modelEmbedding=DRFP2026.05 | 49.7 | |
| DeepSets-based modelEmbedding=RXNFP2026.05 | 48.8 | |
| DeepSets-based modelEmbedding=No embeddings2026.05 | 44.2 | |
| tree-LSTMEmbedding=None2026.05 | 17.5 |