ord_rxn_smiles_procedure

## Dataset Details ### Dataset Description The open reaction database is a database of chemical reactions and their conditions - **Curated by:** - **License:** CC BY SA 4.0 ### Dataset Sources - [original data source](https://github.com/open-reaction-database/ord-data) ## Citation **BibTeX:** ```bibtex @article{Kearnes_2021, doi = {10.1021/jacs.1c09820}, url = {https://doi.org/10.1021%2Fjacs.1c09820}, year = 2021, month = {nov}, publisher = {American Chemical Society ({ACS})}, volume = {143}, number = {45}, pages = {18820--18826}, author = {Steven M. Kearnes and Michael R. Maser and Michael Wleklinski and Anton Kast and Abigail G. Doyle and Spencer D. Dreher and Joel M. Hawkins and Klavs F. Jensen and Connor W. Coley}, title = {The Open Reaction Database}, journal = {J. Am. Chem. Soc.} } ```## 数据集详情 ### 数据集描述 开放式反应数据库（Open Reaction Database）是收录化学反应及其反应条件的专业数据库。 - **整理方：** - **许可协议：** CC BY SA 4.0 ### 数据集来源 - [原始数据源](https://github.com/open-reaction-database/ord-data) ## 引用信息 ### BibTeX格式引用： bibtex @article{Kearnes_2021, doi = {10.1021/jacs.1c09820}, url = {https://doi.org/10.1021%2Fjacs.1c09820}, year = 2021, month = {11月}, publisher = {美国化学会（ACS）}, volume = {143}, number = {45}, pages = {18820--18826}, author = {Steven M. Kearnes and Michael R. Maser and Michael Wleklinski and Anton Kast and Abigail G. Doyle and Spencer D. Dreher and Joel M. Hawkins and Klavs F. Jensen and Connor W. Coley}, title = {开放式反应数据库}, journal = {《美国化学会志》（J. Am. Chem. Soc.）} }

搜集汇总

背景与挑战

背景概述

该数据集属于开放反应数据库，专门收录化学反应及其相关条件信息。它采用CC BY SA 4.0许可证，数据规模为458.74MB，并于2025年5月27日更新。