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Quantitative structure-activity relationships in drug design, predictive toxicology, and risk assessment /

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Quantitative structure-activity relationships in drug design, predictive toxicology, and risk assessment // Kunal Roy, editor.
other author:	Roy, Kunal,
Description:	PDFs (703 pages) :illustrations. :
Subject:	Drugs - Design. -
Online resource:	http://services.igi-global.com/resolvedoi/resolve.aspx?doi=10.4018/978-1-4666-8136-1
ISBN:	9781466681378 (ebook)

Quantitative structure-activity relationships in drug design, predictive toxicology, and risk assessment /
Quantitative structure-activity relationships in drug design, predictive toxicology, and risk assessment /Kunal Roy, editor. - PDFs (703 pages) :illustrations.

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.

Mode of access: World Wide Web.

ISBN: 9781466681378 (ebook)

Standard No.: 10.4018/978-1-4666-8136-1doi

LCCN: 2015000076Subjects--Topical Terms:

582269
Drugs
--Design.Subjects--Index Terms:

CORAL for QSAR/QSPR studies

LC Class. No.: RS420 / .Q36 2015e

Dewey Class. No.: 615.1/9

National Library of Medicine Call No.: QV 745 / Q16 2015e

Quantitative structure-activity relationships in drug design, predictive toxicology, and risk assessment /
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245 0 0 $a Quantitative structure-activity relationships in drug design, predictive toxicology, and risk assessment / $c Kunal Roy, editor.
264 1 $a Hershey, Pennsylvania (701 E. Chocolate Avenue, Hershey, Pa., 17033, USA) : $b IGI Global, $c [2015]
300 $a PDFs (703 pages) : $b illustrations.
336 $a text $2 rdacontent
337 $a electronic $2 isbdmedia
338 $a online resource $2 rdacarrier
504 $a Includes bibliographical references.
505 0 $a 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].
506 $a Restricted to subscribers or individual electronic text purchasers.
520 3 $a "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.
530 $a Also available in print.
538 $a Mode of access: World Wide Web.
650 0 $a Drugs $x Design. $3 582269
650 0 $a QSAR (Biochemistry) $3 582212
650 0 $a Toxicology. $3 580973
650 1 2 $a Drug Design. $3 557397
650 1 2 $a Quantitative Structure-Activity Relationship. $3 970040
650 2 2 $a Drug Antagonism. $3 1057474
650 2 2 $a Drug-Related Side Effects and Adverse Reactions. $3 1026921
650 2 2 $a Risk Assessment. $3 556193
653 $a CORAL for QSAR/QSPR studies
653 $a Environmental exposure assessment
653 $a Lead optimization of potential drug candidates
653 $a Novel descriptors in QSAR
653 $a QSAR for antioxidants
653 $a Toxicity of nanomaterials
700 1 $a Roy, Kunal, $d 1971- $e editor. $3 1057473
710 2 $a IGI Global, $e publisher. $3 1057167
856 4 1 $3 Chapter PDFs via platform: $u http://services.igi-global.com/resolvedoi/resolve.aspx?doi=10.4018/978-1-4666-8136-1