a primer on qsar qspr modeling fundamental concepts springerbriefs in molecular science

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A Primer On Qsar Qspr Modeling

Author : Kunal Roy
ISBN : 9783319172811
Genre : Science
File Size : 84. 54 MB
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This brief goes back to basics and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that represent predictive models derived from the application of statistical tools correlating biological activity (including therapeutic and toxic) and properties of chemicals (drugs/toxicants/environmental pollutants) with descriptors representative of molecular structure and/or properties. It explains how the sub-discipline of Cheminformatics is used for many applications such as risk assessment, toxicity prediction, property prediction and regulatory decisions apart from drug discovery and lead optimization. The authors also present, in basic terms, how QSARs and related chemometric tools are extensively involved in medicinal chemistry, environmental chemistry and agricultural chemistry for ranking of potential compounds and prioritizing experiments. At present, there is no standard or introductory publication available that introduces this important topic to students of chemistry and pharmacy. With this in mind, the authors have carefully compiled this brief in order to provide a thorough and painless introduction to the fundamental concepts of QSAR/QSPR modelling. The brief is aimed at novice readers.

Quantitative Structure Activity Relationships In Drug Design Predictive Toxicology And Risk Assessment

Author : Roy, Kunal
ISBN : 9781466681378
Genre : Technology & Engineering
File Size : 20. 88 MB
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Quantitative structure-activity relationships (QSARs) represent predictive models derived from the application of statistical tools correlating biological activity or other properties of chemicals with descriptors representative of molecular structure and/or property. Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment discusses recent advancements in the field of QSARs with special reference to their application in drug development, predictive toxicology, and chemical risk analysis. Focusing on emerging research in the field, this book is an ideal reference source for industry professionals, students, and academicians in the fields of medicinal chemistry and toxicology.

Vehicular Engine Design

Author : Kevin Hoag
ISBN : 9783709118597
Genre : Technology & Engineering
File Size : 73. 27 MB
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This book provides an introduction to the design and mechanical development of reciprocating piston engines for vehicular applications. Beginning from the determination of required displacement and performance, coverage moves into engine configuration and architecture. Critical layout dimensions and design trade-offs are then presented for pistons, crankshafts, engine blocks, camshafts, valves, and manifolds. Coverage continues with material strength and casting process selection for the cylinder block and cylinder heads. Each major engine component and sub-system is then taken up in turn, from lubrication system, to cooling system, to intake and exhaust systems, to NVH. For this second edition latest findings and design practices are included, with the addition of over sixty new pictures and many new equations.

Understanding The Basics Of Qsar For Applications In Pharmaceutical Sciences And Risk Assessment

Author : Kunal Roy
ISBN : 9780128016336
Genre : Medical
File Size : 83. 87 MB
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Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment describes the historical evolution of quantitative structure-activity relationship (QSAR) approaches and their fundamental principles. This book includes clear, introductory coverage of the statistical methods applied in QSAR and new QSAR techniques, such as HQSAR and G-QSAR. Containing real-world examples that illustrate important methodologies, this book identifies QSAR as a valuable tool for many different applications, including drug discovery, predictive toxicology and risk assessment. Written in a straightforward and engaging manner, this is the ideal resource for all those looking for general and practical knowledge of QSAR methods. Includes numerous practical examples related to QSAR methods and applications Follows the Organization for Economic Co-operation and Development principles for QSAR model development Discusses related techniques such as structure-based design and the combination of structure- and ligand-based design tools

Implementing Beyond Budgeting

Author : Bjarte Bogsnes
ISBN : 9780470466193
Genre : Business & Economics
File Size : 66. 55 MB
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Written by Bjarte Bogsnes, Beyond Budgeting pioneer, Implementing Beyond Budgeting reveals best practices from actual cases where the author headed up implementation of Beyond Budgeting in large global companies. Beginning with a Foreword by Robert Kaplan, cofounder of the Balanced Scorecard, this book reveals how your organization can maximize a performance climate with teams committed to a common purpose, shared rewards, and sustained value creation. This innovative book lucidly presents how every organization can release the ambition and energy of its people who were previously slaves to the budgeting process.

Exploring Qsar Hydrophobic Electronic And Steric Constants

Author : Corwin Hansch
ISBN : 0841229910
Genre : Foreign Language Study
File Size : 39. 66 MB
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[Volume 2]: This volume contains comprehensive tables of physicochemical parameters (substituent constants and octanol-water log P values) that are necessary for Quantitative Structure-Activity Relationships (QSAR) and qualitative SAR. Almost all of the world's environmental protection agencies require log P values for new industrial chemicals. These values were collected over 25 years by two of the most renowned researchers in the field.

Ipr Biosafety And Bioethics

Author : Deepa Goel
ISBN : 9789332514249
Genre :
File Size : 57. 26 MB
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IPR, Biosafety and Bioethics provides a broad coverage of three areas of patenting—intellectual property rights (IPR), biosafety and bioethics. It creates awareness about the value of IPR in our lives and fosters a better understanding of the rights associated with IPR such as copyright, patent, trademarks, industrial designs, geographical indications and so on. Biosafety and bioethical issues prevalent in modern society are discussed.

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