Computational phytochemistry /

Computational Phytochemistry, Second Edition, explores how recent advances in computational techniques and methods have been embraced by phytochemical researchers to enhance many of their operations, refocusing and expanding the possibilities of phytochemical studies. By applying computational aids...

Full description

Bibliographic Details
Corporate Author: ScienceDirect (Online service)
Other Authors: Sarker, Satyajit D. (Editor), Nahar, Lutfun, 1969- (Editor)
Format: eBook
Language:English
Published: Amsterdam, Netherlands : Elsevier, [2024]
Edition:Second edition.
Subjects:
Online Access:Connect to the full text of this electronic book

MARC

Tag First Indicator Second Indicator Subfields
LEADER 00000cam a2200000 i 4500
001 in00005772939
005 20260327175532.5
006 m o d
007 cr |||||||||||
008 240309t20242024ne a ob 000 0 eng d
040 |a EBLCP  |b eng  |e rda  |e pn  |c EBLCP  |d OPELS  |d OCLCO  |d SFB  |d OCLCQ  |d SXB  |d OCLCQ  |d YDX  |d OCLCQ  |d UKKRT  |d ORE  |d OCLCQ  |d ONB  |d UKAHL  |d OCLCL 
019 |a 1480701715  |a 1480896242 
020 |a 9780443161032 
020 |a 0443161038 
020 |z 9780443161025  |q (paperback) 
035 |a (OCoLC)1425792529  |z (OCoLC)1480701715  |z (OCoLC)1480896242 
050 4 |a QK861 
082 0 4 |a 572/.2 
049 |a TXAM 
245 0 0 |a Computational phytochemistry /  |c edited by Satyajit D. Sarker, Lutfun Nahar. 
250 |a Second edition. 
264 1 |a Amsterdam, Netherlands :  |b Elsevier,  |c [2024] 
264 4 |c ©2024 
300 |a 1 online resource (xx, 509 pages) :  |b illustrations (some color) 
336 |a text  |b txt  |2 rdacontent 
337 |a computer  |b c  |2 rdamedia 
338 |a online resource  |b cr  |2 rdacarrier 
504 |a Includes bibliographical references and index. 
505 0 |a Computational phytochemistry : an overview / Lutfun Nahar, Satyajit D. Sarker -- Response surface methodology in phytochemical research / Lutfun Nahar, Satyajit D. Sarker -- Prediction of medicinal properties using mathematical models and computation, and selection of plant materials / Sanjoy Singh Ningthoujam, Rajat Nath, Satyajit D. Sarker, Lutfun Nahar, Deepa Nath, Anupam Das Talukdar -- Optimization of extraction using mathematical models and computation / Somorita Baishya, Rajat Nath, Deepa Nath, Sumit Saha, Anil K. Pasupulati, Lutfun Nahar, Satayajit D. Sarker, Anupam Das Talukdar -- Application of computational methods in isolation of plant secondary metabolites / Mukhlesur Rahman -- Application of computation in creating dereplicated phytochemical libraries / Lutfun Nahar, Satyajit D. Sarker High throughput screening of phytochemicals : application of computational methods / Fyaz M.D. Ismail, Lutfun Nahar, Satyajit D. Sarker -- Prediction of structure based on spectral data using computational techniques / Fyaz M.D. Ismail, Lutfun Nahar, Satyajit D. Sarker Mathematical models and computation in plant metabolomics : an update / Somorita Baishya, Deepa Nath, Rajat Nath, Lutfun Nahar, Satyajit D. Sarker, Anupam Das Talukdar -- Application of computation in the study of biosynthesis of phytochemicals / Achintya Saha, Megha Jethwa, Aditi Gangogpadhyay -- Computational aids for assessing bioactivities in phytochemical and natural products research / Evelyn Wolfram, Adriana Trifan --Computational approaches to phytochemical drug discovery / Suat Sari, Didem Șöhretoğlu -- Unveiling the power of phytochemicals : virtual screening of phytochemicals / Shafi Ullah Khan, Nasir Hayat Khan, Lutfun Nahar, Satyajit D. Sarker, Fazal-Ur-Rehman, Thet Thet Htar-- Predictive toxicology of phytochemicals / Steve J. Enoch, Lutfun Nahar, Satyajit D. Sarker -- Network pharmacology in phytochemical research / Amos A. Fatokun, Lutfun Nahar, Satyajit D. Sarker 
520 |a Computational Phytochemistry, Second Edition, explores how recent advances in computational techniques and methods have been embraced by phytochemical researchers to enhance many of their operations, refocusing and expanding the possibilities of phytochemical studies. By applying computational aids and mathematical models to extraction, isolation, structure determination, and bioactivity testing, researchers can obtain highly detailed information about phytochemicals and optimize working approaches. This book aims to support and encourage researchers currently working with or looking to incorporate computational methods into their phytochemical work. Topics in this book include computational methods for predicting medicinal properties, optimizing extraction, isolating plant secondary metabolites, and building dereplicated phytochemical libraries. The roles of high-throughput screening, spectral data for structural prediction, plant metabolomics, and biosynthesis are all reviewed before the application of computational aids for assessing bioactivities and virtual screening is discussed. Illustrated with detailed figures and supported by practical examples, this book is an indispensable guide for all those involved with the identification, extraction, and application of active agents from natural products. This new edition captures remarkable advancements in mathematical modeling and computational methods that have been incorporated in phytochemical research, addressing, e.g., extraction, isolation, structure determination, and bioactivity testing of phytochemicals" -- Provided by publisher. 
588 |a Description based on online resource; title from digital title page (viewed on February 3, 2025). 
650 0 |a Botanical chemistry  |x Data processing. 
650 6 |a Chimie végétale  |x Informatique. 
655 7 |a Electronic books.  |2 local 
700 1 |a Sarker, Satyajit D.,  |e editor.  |1 https://id.oclc.org/worldcat/entity/E39PBJfcT7kgTDQkfctyKcbrv3 
700 1 |a Nahar, Lutfun,  |d 1969-  |e editor.  |1 https://id.oclc.org/worldcat/entity/E39PCjB7VRhH3d9hyd6GjVw8JC 
710 2 |a ScienceDirect (Online service) 
776 0 8 |i Print version:  |t Computational phytochemistry.  |b Second edition.  |d Amsterdam : Elsevier, 2024  |z 9780443161025  |w (OCoLC)1458048455 
856 4 0 |u http://proxy.library.tamu.edu/login?url=https://www.sciencedirect.com/science/book/9780443161025  |z Connect to the full text of this electronic book  |t 0 
955 |a Elsevier ScienceDirect 2026-2027 
994 |a 92  |b TXA 
999 f f |i e8e041df-87b4-4903-8199-ae3887ee1ff3  |s 9e481a99-a3de-4617-973a-65cfaf5db77b  |t 0 
952 f f |a Texas A&M University  |b College Station  |c Electronic Resources  |s www_evans  |d Available Online  |t 0  |e QK861   |h Library of Congress classification 
998 f f |a QK861   |t 0  |l Available Online