Quantitative structure-activity relationships in drug design, predictive toxicology, and risk assessment
By: Kunal Roy, Jadavpur University, India, [editor]
Series: Advances in chemical and materials engineering (ACME) book series
Publisher: Medical Information Science Reference, an imprint of IGI Global
Published: 2015
Place of publication: Hershey PA
Language: eng
Number of pages: 703
ISBN-13: 9781466681361; 9781466681378
Copyright date: 2015
Subjects: Drug Antagonism; Design; Drug-Related Side Effects and Adverse Reactions; Risk Assessment; Drugs; Quantitative Structure-Activity Relationship; Drug Design
Description: "This book discusses recent advancements in the field of QSARs with special reference to their application in drug development, predictive toxicology, and chemical risk analysis"--Provided by publisher.
Notes: "Premier reference source."--Cover.

Includes bibliographical references (pages 586-687) and index.
Table of contents: title: An introduction to the basic concepts in QSAR aided drug design / Maryam Hamzeh-Mivehroud, Babak Sokouti, Siavoush Dastmalchi; title: The ETA indices in QSAR/QSPR/QSTR research / Kunal Roy, Rudra Narayan Das; title: Evolution of multivariate image analysis in QSAR : the case for a neglected disease / Matheus Puggina de Freitas, Mariene Helena Duarte; title: Quantitative structure-activity/property/toxicity relationships through conceptual density functional theory based reactivity descriptors / Sudip Pan, Ashutosh Gupta, Venkatesan Subramanian, Pratim Kumar Chattaraj; title: Importance of applicability domain of QSAR models / Kunal Roy, Supratik Kar; title: QSAR of antioxidants / Omar Deeb, Mohammad Goodarzi; title: QSAR studies on bacterial efflux pump inhibitors / Khac-Minh Thai, Trong-Nhat Do, Thuy-Viet-Phuong Nguyen, Khanh-Tho D. Nguyen, Thanh-Dao Tran; title: Integrated in silico methods for the design and optimization of novel drug candidates : a case study on fluoroquinolones mycobacterium tuberculosis DNA gyrase Inhibitors / Nikola Minovski, Marjana Novi; title: Computational approaches for the discovery of novel hepatitis C Virus NS3/4A and NS5B inhibitors / Khac-Minh Thai, Quoc-Hiep Dong, Thi-Thanh-Lan Nguyen, Duy-Phong Le, Minh-Tri Le, Thanh-Dao Tran; title: QSAR models towards cholinesterase inhibitors for the treatment of Alzheimer's disease / C. Gopi Mohan, Shikhar Gupta; title: Ligand and structure based drug design of non-steroidal aromatase inhibitors (NSAIs) in breast cancer / Tarun Jha, Nilanjan Adhikari, Amit Kumar Halder, Chanchal Mondal, Achintya Saha; title: Computational techniques application in environmental exposure assessment / Karolina Jagiello, Tomasz Puzyn; title: QSAR based studies of nanomaterials in the environment / Valeria V. Kleandrova, Feng Luan, Alejandro Speck-Planche, M. Natália D.S. Cordeiro; title: Quantitative nanostructure-activity relationship models for the risk assessment of nanomaterials / Eleni Vrontaki, Thomas Mavromoustakos, Georgia Melagraki, Antreas Afantitis; title: QSPR/QSAR analyses by means of the CORAL software: results, challenges, perspectives : CORAL software : results, challenges, perspectives / Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Orazio Nicolotti, Angelo Carotti, Karel Nesmerak, Aleksandar M. Veselinovi, Jovana B. Veselinovi, Pablo R. Duchowicz, Daniel Bacelo, Eduardo A. Castro, Bakhtiyor F. Rasulev, Danuta Leszczynska, Jerzy Leszczynski.