Harriet Dufie Appiah, Matthew Conway, Jahnvi Patel, Marcella McMahon, Robert Hesketh, Kirti M Yenkie
{"title":"Early-stage environmental impact forecasting of chemicals and processes with machine learning and data analytics tools.","authors":"Harriet Dufie Appiah, Matthew Conway, Jahnvi Patel, Marcella McMahon, Robert Hesketh, Kirti M Yenkie","doi":"10.1007/s10098-026-03479-8","DOIUrl":"https://doi.org/10.1007/s10098-026-03479-8","url":null,"abstract":"<p><p>Early-stage environmental evaluation of chemicals and process technologies is often constrained by the lack of detailed life cycle inventory (LCI) data and limited access to commercial life cycle assessment (LCA) tools. This work presents a predictive framework for estimating the environmental impacts of chemicals and processes during the early design stages when such information is unavailable. The framework combines Machine Learning (ML) models, Artificial Neural Networks (ANN), and eXtreme Gradient Boosting (XGBoost), trained on molecular descriptors and thermodynamic properties to predict four cradle-to-gate (production phase) endpoint metrics: Human Health Impact (HHI), Ecosystem Quality Impact (EQI), Global Warming Potential (GWP), and Resource Utilization Impact (RUI). To extend the analysis to the gate-to-gate (use phase) and gate-to-grave (end-of-life) phases, a power law regression model was developed to estimate the GWP scaling exponents for technologies as a function of the capacity/processing rate and energy consumption. Feature importance analysis using SHapley Additive exPlanations (SHAP) indicates that both molecular and thermodynamic descriptors contribute significantly to the prediction of environmental impacts. Two case studies were selected to demonstrate and validate the applicability of this framework. Overall, the results demonstrate the combined approach provides a practical tool for early-stage environmental screening of chemicals and processes.</p><p><strong>Graphical abstract: </strong></p><p><strong>Supplementary information: </strong>The online version contains supplementary material available at 10.1007/s10098-026-03479-8.</p>","PeriodicalId":10329,"journal":{"name":"Clean Technologies and Environmental Policy","volume":"28 5","pages":"120"},"PeriodicalIF":3.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13050333/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147626626","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Designing a safer circular economy of chemicals.","authors":"Gerardo J Ruiz-Mercado","doi":"10.1007/s10098-024-02982-0","DOIUrl":"10.1007/s10098-024-02982-0","url":null,"abstract":"","PeriodicalId":10329,"journal":{"name":"Clean Technologies and Environmental Policy","volume":"26 ","pages":"2415-2417"},"PeriodicalIF":4.2,"publicationDate":"2024-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11580829/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142686048","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Critical success factors for the adoption of circular economy in sustainable healthcare waste management","authors":"Anuj Dixit, Pankaj Dutta","doi":"10.1007/s10098-023-02712-y","DOIUrl":"https://doi.org/10.1007/s10098-023-02712-y","url":null,"abstract":"","PeriodicalId":10329,"journal":{"name":"Clean Technologies and Environmental Policy","volume":"92 15","pages":""},"PeriodicalIF":4.3,"publicationDate":"2024-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139440176","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
N. S. Karthikeyan, B. Shanthi, R. Suresh, C. Ravichandran, B. Venkatachalapathy, K. Saravanan, Lalitha Gnanasekaran, Matias Soto-Moscoso
{"title":"Black gram husk-derived carbon dots: characterization and catalytic dye reduction activities","authors":"N. S. Karthikeyan, B. Shanthi, R. Suresh, C. Ravichandran, B. Venkatachalapathy, K. Saravanan, Lalitha Gnanasekaran, Matias Soto-Moscoso","doi":"10.1007/s10098-023-02709-7","DOIUrl":"https://doi.org/10.1007/s10098-023-02709-7","url":null,"abstract":"","PeriodicalId":10329,"journal":{"name":"Clean Technologies and Environmental Policy","volume":"70 1","pages":""},"PeriodicalIF":4.3,"publicationDate":"2024-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139440785","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Oluwafemi Ezekiel. Ige, D.V. Von Kallon, Dawood Desai
{"title":"Carbon emissions mitigation methods for cement industry using a systems dynamics model","authors":"Oluwafemi Ezekiel. Ige, D.V. Von Kallon, Dawood Desai","doi":"10.1007/s10098-023-02683-0","DOIUrl":"https://doi.org/10.1007/s10098-023-02683-0","url":null,"abstract":"","PeriodicalId":10329,"journal":{"name":"Clean Technologies and Environmental Policy","volume":"33 23","pages":""},"PeriodicalIF":4.3,"publicationDate":"2024-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139442666","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ayushi Gautam, L. S. Rusli, J. S. Yaacob, Vineet Kumar, P. Guleria
{"title":"Nanopriming with magnesium oxide nanoparticles enhanced antioxidant potential and nutritional richness of radish leaves grown in field","authors":"Ayushi Gautam, L. S. Rusli, J. S. Yaacob, Vineet Kumar, P. Guleria","doi":"10.1007/s10098-023-02697-8","DOIUrl":"https://doi.org/10.1007/s10098-023-02697-8","url":null,"abstract":"","PeriodicalId":10329,"journal":{"name":"Clean Technologies and Environmental Policy","volume":"57 47","pages":"1-17"},"PeriodicalIF":4.3,"publicationDate":"2024-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139441884","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M. V. Migo-Sumagang, K. Aviso, Raymond R. Tan, D. Foo
{"title":"Multi-period automated targeting and optimisation for net zero","authors":"M. V. Migo-Sumagang, K. Aviso, Raymond R. Tan, D. Foo","doi":"10.1007/s10098-023-02675-0","DOIUrl":"https://doi.org/10.1007/s10098-023-02675-0","url":null,"abstract":"","PeriodicalId":10329,"journal":{"name":"Clean Technologies and Environmental Policy","volume":"49 17","pages":""},"PeriodicalIF":4.3,"publicationDate":"2024-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139447278","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"The impact of industrial intelligence on green development: research based on intra- and inter-industry linkage effect","authors":"Fengfu Mao, Yuqiao Hou, Xiaorui Xin, Hai Wang","doi":"10.1007/s10098-023-02700-2","DOIUrl":"https://doi.org/10.1007/s10098-023-02700-2","url":null,"abstract":"","PeriodicalId":10329,"journal":{"name":"Clean Technologies and Environmental Policy","volume":"15 11","pages":""},"PeriodicalIF":4.3,"publicationDate":"2024-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139451459","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}