Computational Phytochemistry

A comprehensive account of the application of computational techniques to phytochemical research

Satyajit Dey Sarker (Edited by), Lutfun Nahar (Edited by)

9780128123645

Paperback, published 28 April 2018

364 pages
22.9 x 15.1 x 2.3 cm, 0.54 kg

Approx.344 pages

1. An introduction to computational phytochemistry 2. Prediction of medicinal properties using mathematical models and computation, and selection of plant materials 3. Optimization of extraction using mathematical models and computation 4. Application of computational methods in isolation of plant secondary metabolites 5. Application of computation in building dereplicated phytochemical libraries 6. High-throughput screening of phytochemicals: Application of computational methods 7. Prediction of structure based on spectral data using computational techniques 8. Application of mathematical models and computation in plant metabolomics 9. Application of computation in the biosynthesis of phytochemicals 10. Computational aids for assessing bioactivities 11. Virtual Screening of phytochemicals

Subject Areas: Quantum & theoretical chemistry [PNRP], Organic chemistry [PNN]