Computational Phytochemistry

ISBN-13: 9780443161025 / Miękka / 2024

Spis treści

1. Computational phytochemistry: An overview
2. Response surface methodology in phytochemical research
3. Prediction of medicinal properties using mathematical models and computation, and selection of plant materials
4. Optimisation of extraction using mathematical models and computation
5. Application of computational methods in isolation of plant secondary metabolites
6. Application of computation in creating dereplicated phytochemical libraries
7. Application of computational methods in high throughput screening of phytochemicals
8. Prediction of structure based on spectral data using computational techniques
9. Application of mathematical models and computation in plant metabolomics
10. Application of computation in the study of biosynthesis of phytochemicals
11. Computational aids for assessing bioactivities
12. Computational approaches to phytochemical drug discovery
13. Virtual screening of phytochemicals
14. Predictive toxicology of phytochemicals
15. Network pharmacology in phytochemical research