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Computer aided molecular design : theory and practice /
CAMD or Computer Aided Molecular Design refers to the design of molecules with desirable properties. That is, through CAMD, one determines molecules that match a specified set of (target) properties. CAMD as a technique has a very large potential as in principle, all kinds of chemical, bio-chemical...
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | , , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Amsterdam ; Boston :
Elsevier,
2003.
|
| Edición: | 1st ed. |
| Colección: | Computer-aided chemical engineering ;
12. |
| Temas: | |
| Acceso en línea: | Texto completo Texto completo Texto completo |
Tabla de Contenidos:
- Cover
- Contents
- Preface
- List of contributors
- Part I: Theory, Methods & Tools
- Chapter 1. Introduction to CAMD
- Chapter 2. Molecular Design
- Generation & Test Methods
- Chapter 3. Optimization Methods in CAMD
- I
- Chapter 4. Optimization Methods in CAMD
- II
- Chapter 5. Genetic Algorithms Based CAMD
- Chapter 6. A Hybrid CAMD Method
- Chapter 7. Identification of Multistep Reaction Stoichiometries: CAMD Problem Formulation
- Part II: Applications of CAMD
- Chapter 8. CAMD for Solvent Selection in Industry
- I
- Chapter 9. CAMD for Solvent Selection in Industry
- II
- Chapter 10. Case Study in Optimal Solvent Design
- Chapter 11. CAMD in Solvent Mixture Design
- Chapter 12. Refrigerant Design Case Study
- Chapter 13. Polymer Design Case Study
- Chapter 14. Case Study in Identification of Multistep Reaction Stoichiometries
- Chapter 15. Molecular Design of Fuel Additives
- Part III: Computer Aided Product Design
- Chapter 16. Challenges and Opportunities for CAMD
- Glossary of Terms
- Subject Index
- Author Index
- Last Page.