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Retrosynthesis prediction on USPTO-50k (40/5/5)
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0.58
Top-1 Accuracy
AT MaxFrag
0.36472
0.42061
0.4765
0.53239
Mar 5, 2020
Top-1 Accuracy
Top-2 Accuracy
Top-5 Accuracy
Top-10 Accuracy
Updated 4d ago
Evaluation Results
Method
Method
Links
Top-1 Accuracy
Top-2 Accuracy
Top-5 Accuracy
Top-10 Accuracy
AT MaxFrag
Training set size=40k...
2020.03
0.58
0.734
0.848
0.891
AT
Training set size=40k...
2020.03
0.532
0.681
0.805
0.852
Graph Logic Network
Processing=same as in...
2020.03
0.525
-
0.756
0.837
G2Gs
Processing=same as in...
2020.03
0.489
-
0.725
0.755
Transformer, augmentation
Processing=same as in...
2020.03
0.448
0.571
0.577
0.794
Transformer (6*8), (self corrected)
Reagents removal=reage...
2020.03
0.437
-
0.652
0.687
Seq2Seq
Reaction processing=sp...
2020.03
0.374
-
0.57
0.617
Similarity-based
Processing=same as in...
2020.03
0.373
-
0.633
0.741
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