7. Introduction to cheminformatics for green chemistry education
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Steven P. Wathen
Abstract
The tools of cheminformatics are used for describing chemical structures for use in computer databases and in analyzing the connections between structure and molecular properties. As several aspects of Green Chemistry are also concerned with structure, properties and the relationships between them, cheminformatics provides tools that can be valuable in the teaching of Green Chemistry. This paper will provide an introduction to cheminformatics with a special emphasis on its value in chemical education and Green Chemistry.
Abstract
The tools of cheminformatics are used for describing chemical structures for use in computer databases and in analyzing the connections between structure and molecular properties. As several aspects of Green Chemistry are also concerned with structure, properties and the relationships between them, cheminformatics provides tools that can be valuable in the teaching of Green Chemistry. This paper will provide an introduction to cheminformatics with a special emphasis on its value in chemical education and Green Chemistry.
Chapters in this book
- Frontmatter I
- About the series V
- Preface: the continuum of green chemical education VII
- Contents XIII
- List of Contributing authors XIX
- 1. Green chemistry and the grand challenges of sustainability 1
- 2. Invasive species or sustainable water filters? A student-led laboratory investigation into locally sourced biomass-based adsorbents for sustainable water treatment 13
- 3. Recent advances in the application of carbohydrates as renewable feedstocks for the synthesis of nitrogen-containing compounds 35
- 4. The environmental fate of synthetic organic chemicals 67
- 5. Synthesis of “three-legged” tri-dentate podand ligands incorporating long-chain aliphatic moieties, for water remediators, and for isolating metal ions in non-aqueous solution 97
- 6. An introductory course in green chemistry: Progress and lessons learned 105
- 7. Introduction to cheminformatics for green chemistry education 135
- 8. Green chemistry outreach 149
- 9. The development of a bioenergy-based green chemistry curriculum for high schools 171
- 10. Green chemistry in secondary school 185
- Index 197
Chapters in this book
- Frontmatter I
- About the series V
- Preface: the continuum of green chemical education VII
- Contents XIII
- List of Contributing authors XIX
- 1. Green chemistry and the grand challenges of sustainability 1
- 2. Invasive species or sustainable water filters? A student-led laboratory investigation into locally sourced biomass-based adsorbents for sustainable water treatment 13
- 3. Recent advances in the application of carbohydrates as renewable feedstocks for the synthesis of nitrogen-containing compounds 35
- 4. The environmental fate of synthetic organic chemicals 67
- 5. Synthesis of “three-legged” tri-dentate podand ligands incorporating long-chain aliphatic moieties, for water remediators, and for isolating metal ions in non-aqueous solution 97
- 6. An introductory course in green chemistry: Progress and lessons learned 105
- 7. Introduction to cheminformatics for green chemistry education 135
- 8. Green chemistry outreach 149
- 9. The development of a bioenergy-based green chemistry curriculum for high schools 171
- 10. Green chemistry in secondary school 185
- Index 197
