Read Books Online and Download eBooks, EPub, PDF, Mobi, Kindle, Text Full Free.
Download Quantitative Structure Property Relationships In Large Descriptor Spaces full books in PDF, epub, and Kindle. Read online Quantitative Structure Property Relationships In Large Descriptor Spaces ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!
Author : Victor Lobanov
Publisher :
ISBN 13 : 9789985561256
Total Pages : 35 pages
Book Rating : 4.5/5 (612 download)
Download or read book Quantitative Structure-property Relationships in Large Descriptor Spaces written by Victor Lobanov and published by . This book was released on 1995 with total page 35 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Ruslan Petrukhin
Publisher :
ISBN 13 :
Total Pages : 168 pages
Book Rating : 4.E/5 ( download)
Download or read book Industrial Applications of the Quantitative Structure-property Relationships written by Ruslan Petrukhin and published by . This book was released on 2001 with total page 168 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher : Academic Press
ISBN 13 : 0128054395
Total Pages : 366 pages
Book Rating : 4.1/5 (28 download)
Download or read book Advances in Heterocyclic Chemistry written by and published by Academic Press. This book was released on 2016-07-20 with total page 366 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Heterocyclic Chemistry is the definitive series in the field—one of great importance to organic chemists, polymer chemists, and many biological scientists. Because biology and organic chemistry increasingly intersect, the associated nomenclature also is being used more frequently in explanations. Written by established authorities in the field from around the world, this comprehensive review combines descriptive synthetic chemistry and mechanistic insight to yield an understanding of how chemistry drives the preparation and useful properties of heterocyclic compounds. Considered the definitive serial in the field of heterocyclic chemistry Serves as the go-to reference for organic chemists, polymer chemists, and many biological scientists Provides the latest comprehensive reviews written by established authorities in the field Combines descriptive synthetic chemistry and mechanistic insight to enhance understanding of how chemistry drives the preparation and useful properties of heterocyclic compounds
Author : Kunal Roy
Publisher : Academic Press
ISBN 13 : 0128016337
Total Pages : 494 pages
Book Rating : 4.1/5 (28 download)
Download or read book Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment written by Kunal Roy and published by Academic Press. This book was released on 2015-03-03 with total page 494 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Author : Mati Karelson
Publisher : Wiley-Interscience
ISBN 13 :
Total Pages : 456 pages
Book Rating : 4.3/5 (91 download)
Download or read book Molecular Descriptors in QSAR/QSPR written by Mati Karelson and published by Wiley-Interscience. This book was released on 2000-02-24 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular descriptors are mathematical values that describe the structure or shape of molecules, helping predict the activity and properties of molecules in complex experiments. This book describes the equations known as QSAR (quantitative structure-activity relationships) and QSPR (quantitative structure-property relationships), showing how they can be used productively in a wide range of industries.
Author : Radislav A. Potyrailo
Publisher : Springer Science & Business Media
ISBN 13 : 1441989897
Total Pages : 642 pages
Book Rating : 4.4/5 (419 download)
Download or read book High-Throughput Analysis written by Radislav A. Potyrailo and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 642 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book, edited by Potyrailo and Amis, addresses a new paradigm-shifting approach in the search for new materials-Combinatorial Materials Science. One way to consider such an approach is to imagine an adventurous chef who decides to look for new entrees by cooking food ingredients in many pots using different combinations in every pot, and boil ing, steaming, or frying them in various ways. Although most of the pots will not have the tastiest food ever devised, some recipes will taste intriguing, and some eventually will lead to a discovery of a new fascinating cuisine. Of course, having a skilled chef design the com binatorial formulation will certainly be helpful in ensuring a successful outcome. Similar to food, each engineering material is a complex product of its chemical composition, structure, and processing. Generally, each of these components matters---change one and you get another material. Most of these "new" materials will be less good than ones we use now since existing materials have been refined with the extensive work of scientists and engi neers. At the same time if one prepares diverse materials like our adventurous chef, chang ing material composition, processing conditions and time, etc. , some of these materials will be superior to existing ones and a few might represent breakout technology.
Author : Krishna Rajan
Publisher : Butterworth-Heinemann
ISBN 13 : 012394614X
Total Pages : 542 pages
Book Rating : 4.1/5 (239 download)
Download or read book Informatics for Materials Science and Engineering written by Krishna Rajan and published by Butterworth-Heinemann. This book was released on 2013-07-10 with total page 542 pages. Available in PDF, EPUB and Kindle. Book excerpt: Materials informatics: a 'hot topic' area in materials science, aims to combine traditionally bio-led informatics with computational methodologies, supporting more efficient research by identifying strategies for time- and cost-effective analysis. The discovery and maturation of new materials has been outpaced by the thicket of data created by new combinatorial and high throughput analytical techniques. The elaboration of this "quantitative avalanche"—and the resulting complex, multi-factor analyses required to understand it—means that interest, investment, and research are revisiting informatics approaches as a solution. This work, from Krishna Rajan, the leading expert of the informatics approach to materials, seeks to break down the barriers between data management, quality standards, data mining, exchange, and storage and analysis, as a means of accelerating scientific research in materials science. This solutions-based reference synthesizes foundational physical, statistical, and mathematical content with emerging experimental and real-world applications, for interdisciplinary researchers and those new to the field. - Identifies and analyzes interdisciplinary strategies (including combinatorial and high throughput approaches) that accelerate materials development cycle times and reduces associated costs - Mathematical and computational analysis aids formulation of new structure-property correlations among large, heterogeneous, and distributed data sets - Practical examples, computational tools, and software analysis benefits rapid identification of critical data and analysis of theoretical needs for future problems
Author : Kunal Roy
Publisher : Springer
ISBN 13 : 3319172816
Total Pages : 129 pages
Book Rating : 4.3/5 (191 download)
Download or read book A Primer on QSAR/QSPR Modeling written by Kunal Roy and published by Springer. This book was released on 2015-04-11 with total page 129 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : Natalia Palm
Publisher :
ISBN 13 :
Total Pages : 142 pages
Book Rating : 4.E/5 ( download)
Download or read book Specification of the Minimum, Sufficient and Significant Set of Descriptors for General Description of Solvent Effects written by Natalia Palm and published by . This book was released on 2001 with total page 142 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Roberto Todeschini
Publisher : John Wiley & Sons
ISBN 13 : 9783527628773
Total Pages : 1257 pages
Book Rating : 4.6/5 (287 download)
Download or read book Molecular Descriptors for Chemoinformatics written by Roberto Todeschini and published by John Wiley & Sons. This book was released on 2009-10-30 with total page 1257 pages. Available in PDF, EPUB and Kindle. Book excerpt: The number-one reference on the topic now contains a wealth of new data: The entire relevant literature over the past six years has been painstakingly surveyed, resulting in hundreds of new descriptors being added to the list, and some 3,000 new references in the bibliography section. Volume 1 contains an alphabetical listing of more than 3300 descriptors and related terms for chemoinformatic analysis of chemical compound properties, while the second volume lists over 6,000 references selected from 450 journals. To make the data even more accessible, the introductory section has been completely re-written and now contains several "walk-through" reading lists of selected keywords for novice users.
Author : Kunal Roy
Publisher : Springer
ISBN 13 : 3319568507
Total Pages : 555 pages
Book Rating : 4.3/5 (195 download)
Download or read book Advances in QSAR Modeling written by Kunal Roy and published by Springer. This book was released on 2017-05-22 with total page 555 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book covers theoretical background and methodology as well as all current applications of Quantitative Structure-Activity Relationships (QSAR). Written by an international group of recognized researchers, this edited volume discusses applications of QSAR in multiple disciplines such as chemistry, pharmacy, environmental and agricultural sciences addressing data gaps and modern regulatory requirements. Additionally, the applications of QSAR in food science and nanoscience have been included – two areas which have only recently been able to exploit this versatile tool. This timely addition to the series is aimed at graduate students, academics and industrial scientists interested in the latest advances and applications of QSAR.
Author : Jürgen Bajorath
Publisher : Springer Science & Business Media
ISBN 13 : 1592598021
Total Pages : 530 pages
Book Rating : 4.5/5 (925 download)
Download or read book Chemoinformatics written by Jürgen Bajorath and published by Springer Science & Business Media. This book was released on 2008-02-04 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the literature, several terms are used synonymously to name the topic of this book: chem-, chemi-, or chemo-informatics. A widely recognized de- nition of this discipline is the one by Frank Brown from 1998 (1) who defined chemoinformatics as the combination of “all the information resources that a scientist needs to optimize the properties of a ligand to become a drug. ” In Brown’s definition, two aspects play a fundamentally important role: de- sion support by computational means and drug discovery, which distinguishes it from the term “chemical informatics” that was introduced at least ten years earlier and described as the application of information technology to ch- istry (not with a specific focus on drug discovery). In addition, there is of course “chemometrics,” which is generally understood as the application of statistical methods to chemical data and the derivation of relevant statistical models and descriptors (2). The pharmaceutical focus of many developments and efforts in this area—and the current popularity of gene-to-drug or si- lar paradigms—is further reflected by the recent introduction of such terms as “discovery informatics” (3), which takes into account that gaining kno- edge from chemical data alone is not sufficient to be ultimately successful in drug discovery. Such insights are well in accord with other views that the boundaries between bio- and chemoinformatics are fluid and that these d- ciplines should be closely combined or merged to significantly impact b- technology or pharmaceutical research (4).
![Download Pharmaceutical Chemistry [GPAT] – Books [Study Notes] 3 in 1 Books with 2000+ Question Answer As Per Updated Syllabus PDF Online Free](https://books.google.com/books/content/images/frontcover/NihnEAAAQBAJ?fife=w200-h370)
Author : DIWAKAR EDUCATION HUB
Publisher : DIWAKAR EDUCATION HUB
ISBN 13 :
Total Pages : 800 pages
Book Rating : 4./5 ( download)
Download or read book Pharmaceutical Chemistry [GPAT] – Books [Study Notes] 3 in 1 Books with 2000+ Question Answer As Per Updated Syllabus written by DIWAKAR EDUCATION HUB and published by DIWAKAR EDUCATION HUB. This book was released on 2022-04-01 with total page 800 pages. Available in PDF, EPUB and Kindle. Book excerpt: Pharmaceutical Chemistry [GPAT] – Books [Study Notes] 3 Books with 2000+ Question Answer As Per Updated Syllabus Design by Expert Faculties for Secure 152 Marks in Graduate Pharmacy Aptitude Test [ Asked 38 MCQ in Exam] Highlights of Books – As Per Updated Syllabus Graduate Pharmacy Aptitude Test 3 Booklets theory + MCQ In Each Book given 6 to 7 Chapters in Details [Total 14] Covered Two Types of Chemistry – [1] Pharmaceutical Inorganic Chemistry [2] Medicinal Chemistry Total 2000 + Questions Answer [ Numerical with Explanation] Design by Pharma Professor & Topper Qualified Students Total 3 Booklets For Secured 152 Marks in Exam For More Details Call/Whats App -7310762592,7078549303
Author : Johann Gasteiger
Publisher : John Wiley & Sons
ISBN 13 : 3527606505
Total Pages : 680 pages
Book Rating : 4.5/5 (276 download)
Download or read book Chemoinformatics written by Johann Gasteiger and published by John Wiley & Sons. This book was released on 2006-12-13 with total page 680 pages. Available in PDF, EPUB and Kindle. Book excerpt: This first work to be devoted entirely to this increasingly important field, the "Textbook" provides both an in-depth and comprehensive overview of this exciting new area. Edited by Johann Gasteiger and Thomas Engel, the book provides an introduction to the representation of molecular structures and reactions, data types and databases/data sources, search methods, methods for data analysis as well as such applications as structure elucidation, reaction simulation, synthesis planning and drug design. A "hands-on" approach with step-by-step tutorials and detailed descriptions of software tools and Internet resources allows easy access for newcomers, advanced users and lecturers alike. For a more detailed presentation, users are referred to the "Handbook of Chemoinformatics", which will be published separately. Johann Gasteiger is the recipient of the 1991 Gmelin-Beilstein Medal of the German Chemical Society for Achievements in Computer Chemistry, and the Herman Skolnik Award of the Division of Chemical Information of the American Chemical Society (ACS) in 1997. Thomas Engel joined the research group headed by Johann Gasteiger at the University of Erlangen-Nuremberg and is a specialist in chemoinformatics.
Author : John D. Walker
Publisher : CRC Press
ISBN 13 : 142008433X
Total Pages : 305 pages
Book Rating : 4.4/5 (2 download)
Download or read book Fundamental QSARs for Metal Ions written by John D. Walker and published by CRC Press. This book was released on 2012-12-13 with total page 305 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fundamental QSARs for Metal Ions describes the basic and essential applications of quantitative structure–activity relationships (QSARs) for regulatory or industrial scientists who need to predict metal ion bioactivity. It includes 194 QSARs that have been used to predict metal ion toxicity and 86 QSARs that have been used to predict metal ion bioconcentration, biosorption, and binding. It is an excellent sourcebook for academic, industrial, and government scientists and policy makers, and provides a wealth of information on the biological and chemical activities of metal ions as they impact health and the environment. Fundamental QSARs for Metal Ions was designed for regulatory and regulated organizations that need to use QSARs to predict metal ion bioactivity, as they now do for organic chemicals. It has the potential to eliminate resources to test the toxicity of metal ions or to promulgate regulations that require toxicity testing of metal ions because the book illustrates how to construct QSARs to predict metal ion toxicity. In addition, the book: Provides a historical perspective and introduction to developing QSARs for metal ions Explains the electronic structures and atomic parameters of metals essential to understanding differences in chemical properties that influence cation toxicity, bioconcentration, biosorption, and binding Describes the chemical properties of metals that are used to develop QSARs for metal ions Illustrates the descriptors needed to develop metal ion-ligand binding QSARs Discusses 280 QSARs for metal ions Explains the differences between QSARs for metal ions and Biotic Ligand Models Lists the regulatory limits of metals and provides examples of regulatory applications Illustrates how to construct QSARs for metal ions Dr. John D. Walker is the winner of the 2013 SETAC Government Service Award.
Author : Lorentz JÄNTSCHI
Publisher : MDPI
ISBN 13 : 3039365711
Total Pages : 166 pages
Book Rating : 4.0/5 (393 download)
Download or read book Applied Designs in Chemical Structures with High Symmetry written by Lorentz JÄNTSCHI and published by MDPI. This book was released on 2020-12-02 with total page 166 pages. Available in PDF, EPUB and Kindle. Book excerpt: This Special Issue, "Applied Designs in Chemical Structures with High Symmetry" is open to submissions and welcomes papers dealing with different orders of symmetry intrinsically present in chemical structures. Characterization of these structures helps broaden our understanding of the natural tendency to stabilize matter into chemical compounds, and pushes us to further develop new classes of highly symmetric chemical compounds. The best example is C60 fullerene (Buckminster fullerene), a purely synthetic form of carbon that was recently found to occur both in nature and outer space, and resembles the balls used in football. Applied designs may simply serve as tools for the in silico construction of chemical structures, as well as for the characterization of a structure, classification of a series of structures, and prediction of their properties (inside of an applicability domain with structure–property relationships).bio
Author : Matthias Dehmer
Publisher : John Wiley & Sons
ISBN 13 : 3527645012
Total Pages : 437 pages
Book Rating : 4.5/5 (276 download)
Download or read book Statistical Modelling of Molecular Descriptors in QSAR/QSPR written by Matthias Dehmer and published by John Wiley & Sons. This book was released on 2012-09-13 with total page 437 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook and ready reference presents a combination of statistical, information-theoretic, and data analysis methods to meet the challenge of designing empirical models involving molecular descriptors within bioinformatics. The topics range from investigating information processing in chemical and biological networks to studying statistical and information-theoretic techniques for analyzing chemical structures to employing data analysis and machine learning techniques for QSAR/QSPR. The high-profile international author and editor team ensures excellent coverage of the topic, making this a must-have for everyone working in chemoinformatics and structure-oriented drug design.
