Tasks SotA Datasets Papers Methods Submit About

Papers With Code 2

A community resource for machine learning research: papers, code, benchmarks, and state-of-the-art results.

Explore

Notable Benchmarks All SotA Datasets Papers Methods

Community

Submit Results About

Data sourced from the PWC Archive (CC-BY-SA 4.0). Built by the community, for the community.

Models/MEGAN (reaction class unknown)

MEGAN (reaction class unknown)

Reported on 6 benchmarks across 1 task · 1 paper · 2 SOTA

Note: results are matched by exact model name. Different papers may use the same name for different model variants.

Medical6 results

Single-step retrosynthesisonUSPTO-50k
Top-20 accuracy· 2020-06-27
90.3
best: 92 (MHNreact (reaction class unknown))
SOTA
Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits arXiv:2006.15426
Single-step retrosynthesisonUSPTO-50k
Top-50 accuracy· 2020-06-27
93.2
best: 98.3 (O-GNN (reaction class as prior))
SOTA
Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits arXiv:2006.15426
Single-step retrosynthesisonUSPTO-50k
Top-1 accuracy· 2020-06-27
48.1
best: 67.2 (NAG2G (reaction class as prior))
Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits arXiv:2006.15426
Single-step retrosynthesisonUSPTO-50k
Top-10 accuracy· 2020-06-27
86.1
best: 96.9 (O-GNN (reaction class as prior))
Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits arXiv:2006.15426
Single-step retrosynthesisonUSPTO-50k
Top-3 accuracy· 2020-06-27
70.7
best: 87.7 (O-GNN (reaction class as prior))
Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits arXiv:2006.15426
Single-step retrosynthesisonUSPTO-50k
Top-5 accuracy· 2020-06-27
78.4
best: 93.4 (O-GNN (reaction class as prior))
Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits arXiv:2006.15426