This dataset, titled \Chemical Reactions with Reaction Type and Classification Labels,\ provides a structured compilation of fundamental chemical reactions. It contains over 300 unique reactions, each

IEEE40

Appendix A. Qualitative analysis of model stability and predictions of press perturbation response.

模型分析

反应预测

Qualitative analysis of model stability and predictions of press perturbation response.

DataCite Commons2025-06-01 更新20

Can You Help ChatGPT Get an “A” in Organic Chemistry? Teaching Effective Prompting of Large Language Models for Reaction Prediction

反应预测

化学教育中的LLM提示工程

As generative artificial intelligence (AI) tools such as large language models (LLMs) become widespread, they are increasingly finding applications in chemical sciences. Although LLMs have achieved i

NIAID Data Ecosystem50

Additional file 1 of A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data

反应预测

有机合成高通量筛选

Additional file 1. The table of Dataset 4. It consists of 1558 in-house data points about Buchwald-Hartwig coupling reaction.

Figshare2024-08-13 更新30