태스크의 하위 분류와 논문·코드·평가·기법·데이터셋을 탐색하세요.
Retrosynthetic analysis is a pivotal synthetic methodology in organic chemistry that employs a reverse-engineering approach, initiating from the target compound and retroactively tracing potential synthesis routes and precursor molecules. This technique proves instrumental in sculpting efficient synthetic strategies for intricate molecules, thus catalyzing the evolution and progression of novel pharmaceuticals and materials.
출처에 같은 태스크 이름으로 연결된 데이터셋입니다. 동명 태스크가 포함될 수 있으므로, 비교할 때는 평가 결과의 조건도 확인하세요.
We introduce a framework for benchmarking multi-step retrosynthesis methods, i.e. route predictions, called PaRoutes. The framework consists of two sets of 10 000 synthetic routes extracted from the patent literature, a list of stock compounds, and a curated set of reactions on which one-step retrosynthesis models can be trained
출처: Papers with Code · CC BY-SA 4.0. 아카이브 자료와 새로 수집한 논문은 별도로 관리합니다.