Models and data for Higher-level Strategies for Computer-Aided Retrosynthesis- datasets.zip: The dataset curation pipeline in this project relies on classified and atom-mapped reaction data generated

Figshare2025-02-03 更新30

Machine Proposed Syntheses

自动化化学合成

立体选择性合成

A collection of machine proposed stereoselective total syntheses. These syntheses were proposed either entirely or in part by the reaction prediction software package from ITS Labs.

Figshare2016-01-19 更新10

Dataset of " Natural-Language-Interfaced Robotic Synthesis for AI-Copilot-Assisted Exploration of Inorganic Materials "

自动化化学合成

人工智能辅助材料发现

The automation of chemical synthesis presents opportunities to enhance experimental reproducibility and accelerate discovery. Traditional closed-loop approaches, while effective in specific domains, a

Figshare2025-06-17 更新40

UHPLC-MS and NMR data for: A Mobile Robotic Process Chemist

自动化化学合成

物质分析

The UHPLC-MS data is for automated analysis performed during the experiment runs. The NMR data is for manual analysis of the product.

Zenodo2025-07-02 更新10