<HashMap><database>biostudies-literature</database><scores/><additional><submitter>Boobier S</submitter><funding>Royal Academy of Engineering</funding><funding>Engineering and Physical Sciences Research Council</funding><pagination>2895-2901</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC10207257</full_dataset_link><repository>biostudies-literature</repository><omics_type>Unknown</omics_type><volume>63(10)</volume><pubmed_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 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 </pubmed_abstract><journal>Journal of chemical information and modeling</journal><pubmed_title>AI4Green: An Open-Source ELN for Green and Sustainable Chemistry.</pubmed_title><pmcid>PMC10207257</pmcid><funding_grant_id>CiET2021_17</funding_grant_id><funding_grant_id>EP/S035990/1</funding_grant_id><pubmed_authors>Handley CM</pubmed_authors><pubmed_authors>Davies JC</pubmed_authors><pubmed_authors>Boobier S</pubmed_authors><pubmed_authors>Hirst JD</pubmed_authors><pubmed_authors>Derbenev IN</pubmed_authors></additional><is_claimable>false</is_claimable><name>AI4Green: An Open-Source ELN for Green and Sustainable Chemistry.</name><description>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 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 </description><dates><release>2023-01-01T00:00:00Z</release><publication>2023 May</publication><modification>2025-04-04T09:59:08.49Z</modification><creation>2025-04-04T09:59:08.49Z</creation></dates><accession>S-EPMC10207257</accession><cross_references><pubmed>37155346</pubmed><doi>10.1021/acs.jcim.3c00306</doi></cross_references></HashMap>