← Single-step retrosynthesis
평가 기록
과거 수집 기록이며 최신 순위가 아닙니다. 데이터셋 버전·split·실험 조건과 지표 방향이 검증되지 않은 결과는 직접 비교할 수 없습니다. 날짜는 논문 날짜이며 최신 평가일을 뜻하지 않습니다.
표가 화면보다 넓으면 좌우로 스크롤하여 논문과 구현 링크를 확인하세요.
| 모델 | 원본 지표·값 | 논문 | 구현 |
|---|---|---|---|
| NAG2G (reaction class as prior) |
|
Node-Aligned Graph-to-Graph (NAG2G): Elevating Template-Free Deep Learning Approaches in Single-Step Retrosynthesis 2023-09-27 |
코드 1 |
| UAlign (reaction class as prior) |
|
UAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignment 2024-03-25 |
코드 1 |
| MARS (reaction class as prior) |
|
MARS: A Motif-based Autoregressive Model for Retrosynthesis Prediction 2022-09-27 |
연결 없음 |
| RetroComposer (reaction class as prior) |
|
RetroComposer: Composing Templates for Template-Based Retrosynthesis Prediction 2021-12-20 |
코드 1 |
| SemiRetro (reaction class as prior) |
|
SemiRetro: Semi-template framework boosts deep retrosynthesis prediction 2022-02-12 |
연결 없음 |
| O-GNN (reaction class as prior) |
|
O-GNN: Incorporating Ring Priors into Molecular Modeling 2023-05-01 |
코드 1 |
| Dual-TF (reaction class as prior) |
|
Energy-based View of Retrosynthesis 2020-07-14 |
연결 없음 |
| LocalRetro (reaction class as prior) |
|
Deep Retrosynthetic Reaction Prediction using Local Reactivity and Global Attention 2021-08-05 |
코드 1 |
| GraphRetro (reaction class as prior) |
|
Learning Graph Models for Template-Free Retrosynthesis 2021-06-04 |
연결 없음 |
| MEGAN (reaction class as prior) |
|
Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits 2020-06-27 |
코드 1 |
| GET-LT1 (reaction class as prior) |
|
Molecular Graph Enhanced Transformer for Retrosynthesis Prediction 2019-09-25 |
연결 없음 |
| GET-LT2 (reaction class as prior) |
|
Molecular Graph Enhanced Transformer for Retrosynthesis Prediction 2019-09-25 |
연결 없음 |
| NAG2G (reaction class unknown) |
|
Node-Aligned Graph-to-Graph (NAG2G): Elevating Template-Free Deep Learning Approaches in Single-Step Retrosynthesis 2023-09-27 |
코드 1 |
| SemiRetro (reaction class unknown) |
|
SemiRetro: Semi-template framework boosts deep retrosynthesis prediction 2022-02-12 |
연결 없음 |
| MARS (reaction class unknown) |
|
MARS: A Motif-based Autoregressive Model for Retrosynthesis Prediction 2022-09-27 |
연결 없음 |
| RetroComposer (reaction class unknown) |
|
RetroComposer: Composing Templates for Template-Based Retrosynthesis Prediction 2021-12-20 |
코드 1 |
| Chemformer-Large (reaction class unknown) |
|
Chemformer: a pre-trained transformer for computational chemistry 2022-01-31 |
코드 1 |
| O-GNN (reaction class unknown) |
|
O-GNN: Incorporating Ring Priors into Molecular Modeling 2023-05-01 |
코드 1 |
| G2GT (reaction class unknown) |
|
G2GT: Retrosynthesis Prediction with Graph to Graph Attention Neural Network and Self-Training 2022-04-19 |
코드 1 |
| GraphRetro (reaction class unknown) |
|
Learning Graph Models for Template-Free Retrosynthesis 2021-06-04 |
연결 없음 |
| Dual-TF (reaction class unknown) |
|
Energy-based View of Retrosynthesis 2020-07-14 |
연결 없음 |
| UAlign (reaction class unknown) |
|
UAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignment 2024-03-25 |
코드 1 |
| Augmented Transformer (reaction class unknown) |
|
State-of-the-Art Augmented NLP Transformer models for direct and single-step retrosynthesis 2020-03-05 |
코드 1 |
| LocalRetro (reaction class unknown) |
|
Deep Retrosynthetic Reaction Prediction using Local Reactivity and Global Attention 2021-08-05 |
코드 1 |
| RetroSim (reaction class as prior) |
|
Computer-Assisted Retrosynthesis Based on Molecular Similarity 2017-11-16 |
코드 1 |
| Graph2SMILES-D-GCN (reaction class unknown) |
|
Permutation invariant graph-to-sequence model for template-free retrosynthesis and reaction prediction 2021-10-19 |
코드 1 |
| GLN |
|
Retrosynthesis Prediction with Conditional Graph Logic Network 2020-01-06 |
코드 1 |
| MHNreact (reaction class unknown) |
|
Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield Networks 2022-01-15 |
코드 1 |
| RetroPrime (reaction class unknown) |
|
RetroPrime: A Diverse, plausible and Transformer-based method for Single-Step retrosynthesis predictions 2021-09-15 |
코드 1 |
| Graph2SMILES-D-GAT (reaction class unknown) |
|
Permutation invariant graph-to-sequence model for template-free retrosynthesis and reaction prediction 2021-10-19 |
코드 1 |