ord_rxn_smiles_yield_pred

## 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 本开放反应数据库（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 - [原始数据来源](https://github.com/open-reaction-database/ord-data) ## 引用 ### 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 = {nov}, publisher = {美国化学会（ACS）}, volume = {143}, number = {45}, pages = {18820--18826}, author = {Steven M. Kearnes 和 Michael R. Maser 和 Michael Wleklinski 和 Anton Kast 和 Abigail G. Doyle 和 Spencer D. Dreher 和 Joel M. Hawkins 和 Klavs F. Jensen 和 Connor W. Coley}, title = {开放反应数据库}, journal = {J. Am. Chem. Soc.} }

搜集汇总

背景与挑战

背景概述

该数据集基于开放反应数据库构建，专注于化学反应及其条件的数据。它采用Apache License 2.0和CC BY SA 4.0许可证，并引用了相关学术文献作为数据来源。