AI4Green: An Open-Source ELN for Green and Sustainable Chemistry

31 January 2023, Version 1

Abstract

An Electronic Laboratory Notebook (ELN) combining features, including data archival, collaboration tools, and green and sustainability metrics for organic chemistry, is presented. AI4Green is a web-based application, available as open-source code and free to use. It offers the core functionality of an ELN, namely the ability to store reactions securely and share them among different members of a research team. As users plan their reactions and record it in the ELN, green and sustainable chemistry is encouraged by automatically calculating green metrics and color-coding hazards, solvents, and reaction conditions. The interface links a database constructed from data extracted from PubChem, enabling the automatic collation of information for reactions. The application's design facilitates the development of auxiliary sustainability applications, such as our Solvent Guide. As more reaction data is captured, subsequent work will include providing "intelligent" sustainability suggestions to the user.

Content

Supplementary weblinks

web app implementation of AI4Green
AI4Green is an Electronic Laboratory Notebook built around encouraging green and sustainable chemistry.

Comments

Comments are not moderated before they are posted, but they can be removed by the site moderators if they are found to be in contravention of our Commenting Policy [opens in a new tab] - please read this policy before you post. Comments should be used for scholarly discussion of the content in question. You can find more information about how to use the commenting feature here [opens in a new tab] .
This site is protected by reCAPTCHA and the Google Privacy Policy [opens in a new tab] and Terms of Service [opens in a new tab] apply.