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| DOI | 10.1038/s41893-019-0400-5 |
| The PMI Predictor app to enable green-by-design chemical synthesis | |
| Borovika A.; Albrecht J.; Li J.; Wells A.S.; Briddell C.; Dillon B.R.; Diorazio L.J.; Gage J.R.; Gallou F.; Koenig S.G.; Kopach M.E.; Leahy D.K.; Martinez I.; Olbrich M.; Piper J.L.; Roschangar F.; Sherer E.C.; Eastgate M.D. | |
| 发表日期 | 2019 |
| ISSN | 2398-9629 |
| 起始页码 | 1034 |
| 结束页码 | 1040 |
| 卷号 | 2期号:11 |
| 英文摘要 | The development of sustainable processes for the synthesis of new clinical candidates is a priority for every pharmaceutical company. The ultimate efficiency of a molecule’s synthesis results from a combination of the sequence of steps to assemble the molecule and the efficiency of each of the steps. While multiple approaches are available to aid the development of efficient processes, far fewer methods to guide route innovation have been described. Here we present a ‘green-by-design’ approach to route selection and development, assisted by predictive analytics and historical data. To aid the selection of more efficient strategies, we created a user-friendly web application, the ‘PMI Predictor’ (accessible from https://acsgcipr-predictpmi.shinyapps.io/pmi_calculator/), to predict the probable efficiencies of proposed synthetic routes before their evaluation in the laboratory. We expect that use of this app will bring greater awareness of sustainability during the initial phase of route design and will contribute to a reduced environmental impact of pharmaceutical production. © 2019, The Author(s), under exclusive licence to Springer Nature Limited. |
| 语种 | 英语 |
| scopus关键词 | Efficiency; Environmental impact; HTTP; Molecules; Predictive analytics; Sustainable development; Transportation routes; Efficient process; Efficient strategy; Pharmaceutical company; Pharmaceutical production; Route Selection; Sustainable process; Synthetic routes; WEB application; Synthesis (chemical) |
| 来源期刊 | Nature Sustainability
 |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://gcip.llas.ac.cn/handle/2XKMVOVA/163069 |
| 作者单位 | Chemical and Synthetic Development, Bristol-Myers Squibb, New Brunswick, NJ, United States; Sustainable Process Technologies, Faculty of Engineering, University of Nottingham, Nottingham, United Kingdom; ACS Green Chemistry Institute, The American Chemical Society, Washington, DC, United States; Global Environment Health and Safety, Pfizer, Sandwich, Kent, United Kingdom; Pharmaceutical Technology and Development, AstraZeneca, Macclesfield, United Kingdom; Asymchem, Morrisville, NC, United States; Chemical and Analytical Development, Novartis Pharma, Basel, Switzerland; Genentech, A Member of the Roche Group, South San Francisco, CA, United States; Small Molecule Design and Development, Eli Lilly and Company, Indianapolis, IN, United States; Process Chemistry, Pharmaceutical Sciences, Takeda Pharmaceuticals International, Cambridge, MA, United States; F. Hoffmann-La Roche, Process Chemistry and Catalysis, Small Molecules Technical Development, Basel, Switzerland; Chemical Research and Development, Pfizer ... |
| 推荐引用方式 GB/T 7714 | Borovika A.,Albrecht J.,Li J.,et al. The PMI Predictor app to enable green-by-design chemical synthesis[J],2019,2(11). |
| APA | Borovika A..,Albrecht J..,Li J..,Wells A.S..,Briddell C..,...&Eastgate M.D..(2019).The PMI Predictor app to enable green-by-design chemical synthesis.Nature Sustainability,2(11). |
| MLA | Borovika A.,et al."The PMI Predictor app to enable green-by-design chemical synthesis".Nature Sustainability 2.11(2019). |
| 条目包含的文件 | 条目无相关文件。 | |||||
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