Curated Organic Reaction Dataset for Machine Learning (478 Reactions)
收藏数据链接：
官方服务：
资源简介：
A curated dataset of 478 annotated organic reactions spanning 20 mechanism classes. Each entry includes substrate SMILES, reagent, solvent, temperature, major product SMILES, substrate class, nucleophile/base strength, leaving group, and source textbook. Compiled for training and evaluation of reaction prediction models.
创建时间：
2026-03-27
