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"AI4Green: An open-source ELN for green and sustainable chemistry"

This paper presents the free and open-source, web-based electronic laboratory notebook (ELN) AI4Green, which combines features such as data archiving, collaboration tools, and green and sustainability metrics for organic chemistry. AI4Green 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 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 module. As more reaction data are captured, subsequent work will focus on providing “intelligent” sustainability suggestions to the user. (Full article...)
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