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Papers Benchmarks Datasets Tasks

USPTO dataset and benchmarks – Page 3 · SOTA2 Research

Research Datasets

USPTO

Benchmarks

Task NameDataset NameSOTA MethodSort

Task NameDataset NameSOTA ResultTrendResults

Retrosynthesis prediction

USPTO-50k (45/5)

58.5Top-1 Accuracy

3

USPTO-50K

72Exact Match

2

USPTO-50k

1.5Wall-Clock Time (h)

2

Template retrieval

USPTO-50k (test)

74.2Top-1 Template Retrieval Accuracy

1

Elementary step prediction

mech-USPTO-31k 22 (random)

96.63Top-1 Acc

1

Reaction Prediction

USPTO Full

92.5Top-1 Accuracy

1

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Popular tasks

Retrosynthesis Retrosynthetic planning Retrosynthesis prediction Reaction prediction Chemical Reaction Prediction

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