TY - GEN AU - Sarker, Satyajit D., ed. AU - Nahar, Lutfun, ed. TI - Computational phytochemistry SN - 9780128123645 U1 - 572.2 PY - 2018/// CY - Amsterdam PB - Elseiver KW - Botanical chemistry KW - Data processing N1 - 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 ER -