5 edition of Recent advances in QSAR studies found in the catalog.
Includes bibliographical references and index.
|Statement||edited by Tomasz Puzyn, Jerzy Leszczynski, Mark T.D. Cronin|
|Series||Challenges and advances in computational chemistry and physics -- vol. 8, Challenges and advances in computational chemistry and physics -- 8.|
|LC Classifications||QP517.S85 R43 2010|
|The Physical Object|
|Pagination||xiv, 423 p. :|
|Number of Pages||423|
|LC Control Number||2009930952|
Books, QSAR - Laboratory of Envirolmental Chemometrics. Books Gajewicz A., Puzyn T.: (Eds.) Computational Nanotoxicology, Challenges and Perspectives, 1st. Introduction. Quantitative Structure-Activity Relationship (QSAR) is a field where true multidisciplinary approaches are being used. This volume titled Recent Trends on QSAR in the Pharmaceutical Perceptions offers an overview on the latest advancements in the field. The e-book explains both basic approaches and new approaches and ideas in QSAR research, providing readers with an impression Cited by: 3.
This important new book provides innovative material, including peer-reviewed chapters and survey articles on new applied research and development, in the scientifically important field of QSAR in medicinal chemistry. QSAR is a growing field because available computing power is continuously increas. “This concisely written and up-to-date book is an asset for QSAR, and it will create great interest among the new entrants into the field. It covers topics from 2D-to 6D-QSAR and allied topics in good details with high clarity. The book deserves high place on the desks of beginners and practicing professionals.”.
Recent Advances in Fragment-Based QSAR and Multi-Dimensional QSAR Methods. by Kyaw Zeyar Myint 1 and Xiang-Qun Xie 1,2,3,* 1. QSAR studies can reduce the costly failures of drug candidates by identifying the most promising hit compounds and reducing the number of costly by: Significant advances which have occured over the last 10 years in methodology and its signifiance are covered along with more recent advances in the area of electronic description Some examples of quantitative structure-activity relationships are presented which reveal the value of the method in biological studies.
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Recent Advances in QSAR Studies: Methods and Applications presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part of this volume is handbook-esque and consists of a comprehensive review of QSAR methodology written by outstanding scientists and highly experienced lecturers.
Request PDF | On Jan 1,Tomasz Puzyn and others published Recent Advances in QSAR Studies | Find, read and cite all the research you need on ResearchGate.
Recent Advances in QSAR Studies: Methods and Applications (Challenges and Advances in Computational Chemistry and Physics Book 8) - Kindle edition by Puzyn, Tomasz, Leszczynski, Jerzy, Cronin, Mark T. Download it once and read it on your Kindle device, PC, phones or tablets.
Use features like bookmarks, note taking and highlighting while reading Recent Advances in QSAR Studies: Manufacturer: Springer. Recent Advances in QSAR Studies: Methods and Applications presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part of this volume is handbook-esque and consists of a comprehensive review of QSAR methodology written by outstanding scientists and highly experienced : Hardcover.
This book presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part consists of a comprehensive review of QSAR methodology.
The second part highlights the interdisciplinary aspects and new areas of QSAR : Springer Netherlands. Part I Theory of QSAR 1 Quantitative Structure-Acticity Relationships (QSAR) - Applications and MethodologyMark T. Cronin 2 The Use of Quantum Mechanics Derived Descriptors in Computational ToxicologySteven J.
Enoch 3 Molecular DescriptorsViviana Consonni, Roberto Todeschini 4 3D-QSAR - Applications, Recent Advances and LimitationsWolfgang. Get this from a library.
Recent advances in QSAR studies: methods and applications. [Tomasz Puzyn; Jerzy Leszczynski; Mark T D Cronin;] -- Presents an interdisciplinary overview on various developments in QSAR studies. This book outlines the theoretical framework together with practical applications.
It is suitable for scientists. Recent Advances in QSAR Studies Methods and Applications Edited by Tomasz Puzyn University of Gdansk, Gda´ nsk, Poland´ Jerzy Leszczynski Jackson State University, Jackson, MS, USA.
Significant progress has been made in the study of three-dimensional quantitative structure-activity relationships (3D QSAR) since the first publication by Richard Cramer in and the first volume in the series, 3D QSAR in Drug Design.
Theory, Methods and Applications, published in The aim. This book presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part consists of a comprehensive review of QSAR methodology. The second part highlights the interdisciplinary aspects and new areas of QSAR : Springer Netherlands.
This special IJMS issue on some recent advances in QSAR/QSPR theory aims to fulfil this purpose through the presentation of several contributions of some well-known leaders on this field.
The antioxidant activity was further quantified by the quantitative structure-activity relationships (QSAR) studies.
For this purpose, the structures were. The number of 3D-QSAR studies has exponentially increased over the last decade, since a variety of methods are commercially available in user-friendly, graphically guided software.
In this chapter, we will review recent advances, known limitations, and Cited by: Some reports are also available highlighting the limitations of 3D-QSAR.
In a way, to overcome the limitations of 3D-QSAR, more advanced QSAR approaches like 4D, 5D and 6D-QSAR have been evolved. Here, in this present review we have focused more on the present and future of more predictive models of QSAR studies. Based on this knowledge, most of the QSPR/QSAR studies follow a general scheme as depicted in Figure 1.
In this review, some of the more recent advances in the computational polymer studies are discussed, mainly those related to in silico prediction of properties from the : Bakhtiyor Rasulev, Gerardo Casanola-Martin.
In recent years chemometrics has been undergoing an exciting development both in the applied areas and in the theoretical and methodological aspects. This review is focused on recent advances in chemometric methodologies for quantitative structure-activity relationship (QSAR) studies, and it covers multiple by: 5.
Table of Contents. Preface. Overview and Recent Advances in QSAR Studies; Rahul P. Gangwal, Mangesh V. Damre, and Abhay T. Sangamwar Software and Web Resources for Computer-Aided Molecular Modeling and Drug Discovery; Dharmendra Kumar Yadav, Reeta Rai, Ramendra Pratap, and Harpreet Singh The Rm2 Metrics for Validation of QSAR/QSPR Models; Kunal Roy and Supratik KarPages: 3D QSAR in Drug Design by Hugo Kubinyi,available at Book Depository with free delivery worldwide.
Quantitative structure–activity relationship models (QSAR models) are regression or classification models used in the chemical and biological sciences and engineering. Like other regression models, QSAR regression models relate a set of "predictor" variables (X) to the potency of the response variable (Y), while classification QSAR models relate the predictor variables to a categorical value.
The book, which is related to QSAR in sciences, is divided into five main chapters. The first chapter is the Introductory chapter. The second chapter aims to provide an update of the recent advances in the field of rational design of PDE inhibitors.
The third chapter includes designing a series of peptidic inhibitors that possessed a substrate transition-state analog and evaluating the Cited by: 4. Recent advances on CDK inhibitors: An insight by means of in silico methods.
However, more recent studies employing a chemical genetic approach in which CDK2 expression was maintained, but kinase activity was inhibited, provides compelling evidence that CDK2 is a valid cancer target.
InQSAR studies were carried out on a set of 46 Cited by: 8. This book provides the first comprehensive, interdisciplinary presentation of QSAR studies on chemical mutagens and carcinogens.
It synthesizes the body of knowledge and recent advances in this rapidly emerging field through the contributions of leading experts from around the world.Table of Contents. Preface. Overview and Recent Advances in QSAR Studies; Rahul P.
Gangwal, Mangesh V. Damre, and Abhay T. Sangamwar Software and Web Resources for Computer-Aided Molecular Modeling and Drug Discovery; Dharmendra Kumar Yadav, Reeta Rai, Ramendra Pratap, and Harpreet Singh The Rm2 Metrics for Validation of QSAR/QSPR Models; Kunal Roy and Supratik Kar.Book chapters Recent Advances in QSAR Studies: Methods and Applications.
Springer. ISBN: Book chapters Puzyn T., Leszczynska D., Leszczynski J. (): Quantitative Structure-Activity Relationships (QSARs) in the European REACH System: Could these approaches be applied to nanomaterials? In: Leszczynski J.