{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,25]],"date-time":"2026-02-25T18:36:21Z","timestamp":1772044581689,"version":"3.50.1"},"reference-count":18,"publisher":"Springer Science and Business Media LLC","issue":"1","license":[{"start":{"date-parts":[[2024,5,28]],"date-time":"2024-05-28T00:00:00Z","timestamp":1716854400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0"},{"start":{"date-parts":[[2024,5,28]],"date-time":"2024-05-28T00:00:00Z","timestamp":1716854400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0"}],"funder":[{"DOI":"10.13039\/501100000287","name":"Royal Academy of Engineering","doi-asserted-by":"publisher","award":["CiET2021_17"],"award-info":[{"award-number":["CiET2021_17"]}],"id":[{"id":"10.13039\/501100000287","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000266","name":"Engineering and Physical Sciences Research Council","doi-asserted-by":"publisher","award":["EP\/S035990\/1"],"award-info":[{"award-number":["EP\/S035990\/1"]}],"id":[{"id":"10.13039\/501100000266","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["J Cheminform"],"abstract":"<jats:sec>\n                <jats:title>Abstract<\/jats:title>\n                <jats:p>Selecting greener solvents during experiment design is imperative for greener chemistry. While many solvent selection guides are currently used in the pharmaceutical industry, these are often paper-based guides which can make it difficult to identify and compare specific solvents. This work presents a stand-alone version of the solvent flashcards that were developed as part of the AI4Green electronic laboratory notebook. The functionality is an intuitive and interactive interface for the visualisation of data from CHEM21, a pharmaceutical solvent selection guide that categorises solvents according to \u201cgreenness\u201d. This open-source software is written in Python, JavaScript, HTML and CSS and allows users to directly contrast and compare specific solvents by generating colour-coded flashcards. It can be installed locally using pip, or alternatively the source code is available on GitHub: <jats:ext-link xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" ext-link-type=\"uri\" xlink:href=\"https:\/\/github.com\/AI4Green\/solvent_flashcards\">https:\/\/github.com\/AI4Green\/solvent_flashcards<\/jats:ext-link>. The documentation can also be found on GitHub or on the corresponding Python Package Index webpage: <jats:ext-link xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" ext-link-type=\"uri\" xlink:href=\"https:\/\/pypi.org\/project\/solvent-guide\/\">https:\/\/pypi.org\/project\/solvent-guide\/<\/jats:ext-link>.<\/jats:p>\n              <\/jats:sec><jats:sec>\n                <jats:title>Scientific Contribution<\/jats:title>\n                <jats:p>This simple and easy-to-use digital tool provides a visualisation of solvent greenness data through a novel intuitive interface and encourages green chemistry. It offers numerous advantages over traditional solvent selection guides, allowing users to directly customise the solvent list and generate side-by-side comparisons of only the most important solvents. The release as a standalone package will maximise the benefit of this software.<\/jats:p>\n              <\/jats:sec><jats:sec>\n                <jats:title>Graphical Abstract<\/jats:title>\n                \n              <\/jats:sec>","DOI":"10.1186\/s13321-024-00854-9","type":"journal-article","created":{"date-parts":[[2024,5,28]],"date-time":"2024-05-28T21:06:19Z","timestamp":1716930379000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Solvent flashcards: a visualisation tool for sustainable chemistry"],"prefix":"10.1186","volume":"16","author":[{"given":"Joseph","family":"Heeley","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Samuel","family":"Boobier","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jonathan D.","family":"Hirst","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2024,5,28]]},"reference":[{"issue":"6","key":"854_CR1","doi-asserted-by":"publisher","first-page":"2109","DOI":"10.1039\/D2GC03772F","volume":"25","author":"C Castiello","year":"2023","unstructured":"Castiello C, Junghanns P, Mergel A, Jacob C, Ducho C, Valente S, Rotili D, Fioravanti R, Zwergel C, Mai A (2023) GreenMedChem: the challenge in the next decade toward eco-friendly compounds and processes in drug design. Green Chem 25(6):2109\u20132169. https:\/\/doi.org\/10.1039\/D2GC03772F","journal-title":"Green Chem"},{"key":"854_CR2","doi-asserted-by":"publisher","first-page":"2927","DOI":"10.1021\/acssuschemeng.6b02399","volume":"5","author":"A DeVierno Kreuder","year":"2017","unstructured":"DeVierno Kreuder A, House-Knight T, Whitford J, Ponnusamy E, Miller P, Jesse N, Rodenborn R, Sayag S, Gebel M, Aped I, Sharfstein I, Manaster E, Ergaz I, Harris A, Nelowet Grice L (2017) A method for assessing greener alternatives between chemical products following the 12 principles of green chemistry. ACS Sustain Chem Eng. 5:2927\u20132935","journal-title":"ACS Sustain Chem Eng."},{"key":"854_CR3","doi-asserted-by":"publisher","first-page":"1582","DOI":"10.1021\/acs.chemrev.0c00709","volume":"121","author":"A Jordan","year":"2020","unstructured":"Jordan A, Stoy P, Sneddon HF (2020) Chem Rev 121:1582\u20131622","journal-title":"Chem Rev"},{"key":"854_CR4","doi-asserted-by":"publisher","first-page":"3943","DOI":"10.1039\/D2GC00698G","volume":"24","author":"P Dutta","year":"2022","unstructured":"Dutta P, McGranaghan A, Keller I, Patil Y, Mulholland N, Murudi V, Prescher H, Smith A, Carson N, Martin C, Cox P, Stierli D, Boussemghoune M, Barreteau F, Cassayre J, Godineau E (2022) A case study in green chemistry: the reduction of hazardous solvents in an industrial R&D environment. Green Chem 24:3943\u20133956","journal-title":"Green Chem"},{"key":"854_CR5","doi-asserted-by":"publisher","DOI":"10.1016\/j.cogsc.2022.100623","volume":"35","author":"IN Derbenev","year":"2022","unstructured":"Derbenev IN, Dowden J, Twycross J, Hirst JD (2022) Curr Opin Green Sustain Chem 35:100623","journal-title":"Curr Opin Green Sustain Chem"},{"key":"854_CR6","doi-asserted-by":"publisher","first-page":"912","DOI":"10.1021\/op200097d","volume":"15","author":"C Jimenez-Gonzalez","year":"2011","unstructured":"Jimenez-Gonzalez C, Ponder CS, Broxterman QB, Manley JB (2011) Using the right green yardstick: why process mass intensity is used in the pharmaceutical industry to drive more sustainable processes. Org Process Res Dev 15:912\u2013917","journal-title":"Org Process Res Dev"},{"key":"854_CR7","doi-asserted-by":"publisher","DOI":"10.1186\/s40508-016-0051-z","author":"FP Byrne","year":"2016","unstructured":"Byrne FP, Jin S, Paggiola G, Petchey THM, Clark JH, Farmer TJ, Hunt AJ, Robert McElroy C, Sherwood J (2016) Tools and techniques for solvent selection: green solvent selection guides. Sustain Chem Process. https:\/\/doi.org\/10.1186\/s40508-016-0051-z","journal-title":"Sustain Chem Process"},{"key":"854_CR8","doi-asserted-by":"publisher","first-page":"4773","DOI":"10.1039\/C5GC01615K","volume":"17","author":"M Tobiszewski","year":"2015","unstructured":"Tobiszewski M, Tsakovski S, Simeonov V, Namie\u015bnik J, Pena-Pereira F (2015) A solvent selection guide based on chemometrics and multicriteria decision analysis. Green Chem 17:4773\u20134785","journal-title":"Green Chem"},{"key":"854_CR9","doi-asserted-by":"publisher","first-page":"31","DOI":"10.1039\/B711717E","volume":"10","author":"K Alfonsi","year":"2008","unstructured":"Alfonsi K, Colberg J, Dunn PJ, Fevig T, Jennings S, Johnson TA, Kleine HP, Knight C, Nagy MA, Perry DA, Stefaniak M (2008) Green chemistry tools to influence a medicinal chemistry and research chemistry based organisation. Green Chem 10:31\u201336","journal-title":"Green Chem"},{"key":"854_CR10","doi-asserted-by":"publisher","first-page":"854","DOI":"10.1039\/c0gc00918k","volume":"13","author":"RK Henderson","year":"2011","unstructured":"Henderson RK, Jim\u00e9nez-Gonz\u00e1lez C, Constable DJC, Alston SR, Inglis GGA, Fisher G, Sherwood J, Binks SP, Curzons AD (2011) Expanding GSK\u2019s solvent selection guide\u2014embedding sustainability into solvent selection starting at medicinal chemistry. Green Chem 13:854\u2013862","journal-title":"Green Chem"},{"key":"854_CR11","doi-asserted-by":"publisher","first-page":"1517","DOI":"10.1021\/op4002565","volume":"17","author":"D Prat","year":"2013","unstructured":"Prat D, Pardigon O, Flemming H-W, Letestu S, Ducandas V, Isnard P, Guntrum E, Senac T, Ruisseau S, Cruciani P, Hosek P (2013) Sanofi\u2019s solvent selection guide: a step toward more sustainable processes. Org Process Res Dev 17:1517\u20131525","journal-title":"Org Process Res Dev"},{"key":"854_CR12","doi-asserted-by":"publisher","first-page":"4546","DOI":"10.1039\/C4GC01149J","volume":"16","author":"D Prat","year":"2014","unstructured":"Prat D, Hayler J, Wells A (2014) A survey of solvent selection guides. Green Chem 16:4546\u20134551","journal-title":"Green Chem"},{"key":"854_CR13","doi-asserted-by":"publisher","first-page":"288","DOI":"10.1039\/C5GC01008J","volume":"18","author":"D Prat","year":"2016","unstructured":"Prat D, Wells A, Hayler J, Sneddon H, McElroy CR, Abou-Shehada S, Dunn PJ (2016) CHEM21 selection guide of classical- and less classical-solvents. Green Chem 18:288\u2013296","journal-title":"Green Chem"},{"key":"854_CR14","doi-asserted-by":"publisher","first-page":"2895","DOI":"10.1021\/acs.jcim.3c00306","volume":"63","author":"S Boobier","year":"2023","unstructured":"Boobier S, Davies JC, Derbenev IN, Handley CM, Hirst JD, Chem J (2023) AI4Green: an open-source ELN for green and sustainable chemistry. Inf Model 63:2895\u20132901","journal-title":"Inf Model"},{"key":"854_CR15","unstructured":"Solvent Flashcards GitHub. https:\/\/github.com\/AI4Green\/solvent_flashcards. Accessed 16 Feb 2024."},{"key":"854_CR16","unstructured":"Solvent Guide Google Collab. Notebook. J. Heeley, https:\/\/colab.research.google.com\/drive\/1BGxtwMfrCIBJJLnKHSunhvZQgfLClBx8?usp=sharing. Accessed 16 Feb 2024."},{"key":"854_CR17","doi-asserted-by":"publisher","first-page":"D1373","DOI":"10.1093\/nar\/gkac956","volume":"51","author":"S Kim","year":"2023","unstructured":"Kim S, Chen J, Cheng T, Gindulyte A, He J, He S, Li Q, Shoemaker BA, Thiessen PA, Yu B, Zaslavsky L, Zhang J, Bolton EE (2023) PubChem 2023 update. Nucleic Acids Res 51:D1373\u2013D1380","journal-title":"Nucleic Acids Res"},{"key":"854_CR18","unstructured":"United Nations. Globally Harmonized System of Classification and Labelling of Chemicals (GHS Rev. 10, 2023), New York and Geneva, 2023."}],"container-title":["Journal of Cheminformatics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1186\/s13321-024-00854-9.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1186\/s13321-024-00854-9\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1186\/s13321-024-00854-9.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,5,28]],"date-time":"2024-05-28T21:09:36Z","timestamp":1716930576000},"score":1,"resource":{"primary":{"URL":"https:\/\/jcheminf.biomedcentral.com\/articles\/10.1186\/s13321-024-00854-9"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,5,28]]},"references-count":18,"journal-issue":{"issue":"1","published-online":{"date-parts":[[2024,12]]}},"alternative-id":["854"],"URL":"https:\/\/doi.org\/10.1186\/s13321-024-00854-9","relation":{},"ISSN":["1758-2946"],"issn-type":[{"value":"1758-2946","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,5,28]]},"assertion":[{"value":"16 February 2024","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"10 May 2024","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"28 May 2024","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Declarations"}},{"value":"The authors declare that they do not have any competing interests.","order":2,"name":"Ethics","group":{"name":"EthicsHeading","label":"Competing interests"}}],"article-number":"60"}}