Computational Phytochemistry

Computational Phytochemistry,Second Edition,is a comprehensive guide that highlights the use of computational techniques and methods in phytochemical research, offering valuable insights into extraction, isolation, structure determination, and bioactivity testing.

Format: Paperback / softback
Length: 530 pages
Publication date: 01 March 2024
Publisher: Elsevier - Health Sciences Division

Computational Phytochemistry, Second Edition, delves into the captivating realm of how phytochemical researchers have wholeheartedly embraced recent advancements in computational techniques and methods to revolutionize their operations, expanding the horizons of phytochemical studies. By leveraging computational aids and mathematical models in extraction, isolation, structure determination, and bioactivity testing, researchers gain access to an unprecedented level of detailed information about phytochemicals, enabling them to optimize their working approaches. This comprehensive book serves as a steadfast support and catalyst for researchers currently engaged in or aspiring to incorporate computational methods into their phytochemical endeavors. Within its pages, readers will find a treasure trove of topics, including computational methods for predicting medicinal properties, optimizing extraction processes, isolating plant secondary metabolites, and constructing dereplicated phytochemical libraries. Furthermore, the book comprehensively reviews the roles of high-throughput screening, spectral data for structural prediction, plant metabolomics, and biosynthesis, paving the way for the application of computational aids in assessing bioactivities and conducting virtual screening. Illustrated with intricate figures and complemented by practical examples, this book emerges as an indispensable guide for all individuals involved in the identification, extraction, and application of active agents from natural products. This new edition showcases remarkable advancements in mathematical modeling and computational methods that have been seamlessly integrated into phytochemical research, addressing various aspects such as extraction, isolation, structure determination, and bioactivity testing of phytochemicals.

Weight: 450g
Dimension: 229 x 151 (mm)
ISBN-13: 9780443161025
Edition number: 2 ed