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

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 them in the ELN, green and sustainable chemistry is encouraged by automatically calculating green metrics and colorcoding 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 are captured, subsequent work will include providing "intelligent" sustainability suggestions to the user.

Solvent flashcards: a visualisation tool for sustainable chemistry

“…AI4Green [ 14 ] is an open-source electronic laboratory notebook that promotes green chemistry by encouraging users to make greener choices during reaction design. To identify these choices during solvent selection, a simple user interface was developed to visualise the data from the CHEM21 solvent selection guide by generating a series of solvent flashcards that make use of the colour-coding system for easy comparison of solvents.…”