Software tools for green and sustainable chemistry |
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Authors: | Ivan N Derbenev James Dowden Jamie Twycross Jonathan D Hirst |
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Institution: | 1. Digital Research Service, University of Nottingham, Jubilee Campus, Nottingham, NG8 1BB, UK;2. School of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, UK;3. School of Computer Science, University of Nottingham, Jubilee Campus, Nottingham, NG8 1BB, UK |
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Abstract: | In this review, we consider green chemistry metrics, related software tools, and the opportunities and challenges for their use in research laboratories. We provide an overview of state-of-the-art software designed both to aid researchers in planning and conducting chemical experiments and to assess sustainability of individual reactions and synthetic routes. The increasing digitalisation of research means that there is great opportunity for more extensive use of computational tools by synthetic chemists and for closer integration of green chemistry principles into the routine work of chemical laboratories. We discuss the scope for using software tools in the laboratory and assisting synthetic chemists in the adoption of green and sustainable chemistry approaches that are suitable for their specific purposes. |
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Keywords: | Sustainable chemistry Green chemistry metrics Research software CHEM21 |
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