← Single-step retrosynthesis
Papers with Code · CC BY-SA 4.0

USPTO-50k

아카이브 평가 35건 · 마지막 적재/변경

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.

원본 기록 순서 · 순위 미부여
모델원본 지표·값논문구현
G2Gs
Top-1 accuracy
48.9
Top-3 accuracy
67.6
Top-5 accuracy
72.5
Top-10 accuracy
75.5
A Graph to Graphs Framework for Retrosynthesis Prediction
2020-03-28
연결 없음
MEGAN (reaction class unknown)
Top-1 accuracy
48.1
Top-3 accuracy
70.7
Top-5 accuracy
78.4
Top-10 accuracy
86.1
Top-20 accuracy
90.3
Top-50 accuracy
93.2
Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits
2020-06-27
코드 1
GET-LT1 (reaction class unknown)
Top-1 accuracy
44.9
Top-3 accuracy
58.8
Top-5 accuracy
62.4
Top-10 accuracy
65.9
Molecular Graph Enhanced Transformer for Retrosynthesis Prediction
2019-09-25
연결 없음
RetroSim (reaction class unknown)
Top-1 accuracy
37.3
Top-3 accuracy
54.7
Top-5 accuracy
63.3
Top-10 accuracy
74.1
Computer-Assisted Retrosynthesis Based on Molecular Similarity
2017-11-16
코드 1
Expert System (reaction class as prior)
Top-1 accuracy
35.2
Top-3 accuracy
52.3
Top-5 accuracy
59.1
Top-10 accuracy
65.1
Retrosynthetic reaction prediction using neural sequence-to-sequence models
2017-06-06
코드 1