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The algebra of organic synthesis green metrics, design strategy, route selection, and optimization

Andraos, John.

The algebra of organic synthesis green metrics, design strategy, route selection, and optimization

Andraos, John.

9781420093292

Boca Raton : CRC Press, 2012.

xvii, 1203 p. : ill.

ch. 1. Aims and scope -- ch. 2. General comments on organic chemistry and green chemistry -- ch. 3. Problems with literature reporting of synthesis plans -- ch. 4. Problems and challenges in synthesis and green chemistry -- ch. 5. Overview of green metrics -- ch. 6. Optimization -- ch. 7. Named organic reaction database -- ch. 8. Example transformations illustrating sacrificial reagents -- ch. 9. Synthesis strategies -- ch. 10. Ring construction strategies -- ch. 11. Example highlights from database -- ch. 12. Summary of overall trends in synthesis database -- ch. 13. Compounds with multiple plans.

"A how-to manual for quantitative analysis of material efficiency and synthesis strategy in chemistry, this book explains quantitative material efficiency and discusses the role of metrics analysis in actualizing the principles of green chemistry. It covers graph theory as it applies to organic synthesis, the simple mathematical analysis of organic synthesis, and how synthesis plants can be ranked in an unbiased way. The author illustrates the concepts with example target plans and classical targets considered milestones in synthetic chemistry from pharmaceuticals, dyestuffs, agrichemicals, insecticides, natural products, and molecules of theoretical interest"-- Provided by publisher.

Organic compounds -- Synthesis -- Mathematical models.

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