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書名 Quantitative structure-activity relationships in drug design, predictive toxicology, and risk assessment / Kunal Roy, editor
出版項 Hershey, Pennsylvania (701 E. Chocolate Avenue, Hershey, Pa., 17033, USA) : IGI Global, [2015]
國際標準書號 9781466681378 (ebook)
9781466681361 print
國際標準號碼 10.4018/978-1-4666-8136-1 doi
book jacket
說明 PDFs (703 pages) : illustrations
text rdacontent
electronic isbdmedia
online resource rdacarrier
附註 Includes bibliographical references
An introduction to the basic concepts in QSAR-aided drug design / Maryam Hamzeh-Mivehroud, Babak Sokouti, Siavoush Dastmalchi -- The "ETA" indices in QSAR/QSPR/QSTR research / Kunal Roy, Rudra Narayan Das -- Evolution of multivariate image analysis in QSAR: the case for a neglected disease / Matheus P. Freitas, Mariene H. Duarte -- Quantitative structure-activity/property/toxicity relationships through conceptual density functional theory-based reactivity descriptors / Sudip Pan, Ashutosh Gupta, Venkatesan Subramanian, Pratim K. Chattaraj -- Importance of applicability domain of QSAR models / Kunal Roy, Supratik Kar -- QSAR of antioxidants / Omar Deeb, Mohammad Goodarzi -- QSAR studies on bacterial efflux pump inhibitors / Khac-Minh Thai [and 4 others] -- 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 Novic -- Computational approaches for the discovery of novel hepatitis C virus NS3/4A and NS5B inhibitors / Khac-Minh Thai [and 5 others] -- QSAR models towards cholinesterase inhibitors for the treatment of Alzheimer's disease / C. Gopi Mohan, Shikhar Gupta -- Ligand- and structure-based drug design of non-steroidal aromatase inhibitors (NSAIs) in breast cancer / Tarun Jha, Nilanajn Adhikari, Amit Kumar Halder, Achintya Saha -- Computational techniques application in environmental exposure assessment / Karolina Jagiello, Tomasz Puzyn -- QSAR-based studies of nanomaterials in the environment / Valeria V. Kleandrova, Feng Luan, Alejandro Speck-Planche, M. Natalia D. S. Cordeiro -- Quantitative nanostructure-activity relationship models for the risk assessment of nanomaterials / Eleni Vrontaki, Thomas Mavromoustakos, Georgia Melagraki, Antreas Afantitis -- QSPR/QSAR analyses by means of the CORAL software: results, challenges, perspectives / Andrey A. Toropov [and 13 others]
Restricted to subscribers or individual electronic text purchasers
"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
Also available in print
Mode of access: World Wide Web
鏈接 (Original) (DLC)2015000076
Print version: 1466681365 9781466681361 (DLC) 2015000076
主題 Drugs -- Design
QSAR (Biochemistry)
Drug Design
Quantitative Structure-Activity Relationship
Drug Antagonism
Drug-Related Side Effects and Adverse Reactions
Risk Assessment
CORAL for QSAR/QSPR studies
Environmental exposure assessment
Lead optimization of potential drug candidates
Novel descriptors in QSAR
QSAR for antioxidants
Toxicity of nanomaterials
Alt Author Roy, Kunal, 1971- editor
IGI Global, publisher
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