Share

Statistical Modelling of Molecular Descriptors in QSAR/QSPR

2012-09-13 Medical
Download Statistical Modelling of Molecular Descriptors in QSAR/QSPR PDF Online Free

Author :
Release : 2012-09-13
Genre : Medical
Kind : eBook
Book Rating : 012/5 ( reviews)

GET EBOOK


Book Synopsis Statistical Modelling of Molecular Descriptors in QSAR/QSPR by : Matthias Dehmer

Download or read book Statistical Modelling of Molecular Descriptors in QSAR/QSPR written by Matthias Dehmer. This book was released on 2012-09-13. 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.

Molecular Descriptors in QSAR/QSPR

2000-02-24 Medical
Download Molecular Descriptors in QSAR/QSPR PDF Online Free

Author :
Release : 2000-02-24
Genre : Medical
Kind : eBook
Book Rating : /5 ( reviews)

GET EBOOK


Book Synopsis Molecular Descriptors in QSAR/QSPR by : Mati Karelson

Download or read book Molecular Descriptors in QSAR/QSPR written by Mati Karelson. This book was released on 2000-02-24. 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.

Molecular Descriptors for Chemoinformatics

2009-10-30 Science
Download Molecular Descriptors for Chemoinformatics PDF Online Free

Author :
Release : 2009-10-30
Genre : Science
Kind : eBook
Book Rating : 773/5 ( reviews)

GET EBOOK


Book Synopsis Molecular Descriptors for Chemoinformatics by : Roberto Todeschini

Download or read book Molecular Descriptors for Chemoinformatics written by Roberto Todeschini. This book was released on 2009-10-30. 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.

Handbook of Molecular Descriptors

2008-07-11 Science
Download Handbook of Molecular Descriptors PDF Online Free

Author :
Release : 2008-07-11
Genre : Science
Kind : eBook
Book Rating : 110/5 ( reviews)

GET EBOOK


Book Synopsis Handbook of Molecular Descriptors by : Roberto Todeschini

Download or read book Handbook of Molecular Descriptors written by Roberto Todeschini. This book was released on 2008-07-11. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative studies on structure-activity and structure-property relationships are powerful tools in directed drug research. In recent years, various strategies have been developed to characterize and classify structural patterns by means of molecular descriptors. It has become possible not only to assess diversities or similarities of structure databases, but molecular descriptors also facilitate the identification of potential bioactive molecules from the rapidly increasing number of compound libraries. They even allow for a controlled de-novo design of new lead structures. This is the most comprehensive collection of molecular descriptors and presents a detailed review from the origins of this research field up to present day. This practically oriented reference book gives a thorough overview of the different molecular descriptors representations and their corresponding molecular descriptors. All descriptors are listed with their definition, symbols and labels, formulas, some numerical examples, data and molecular graphs, while numerous figures and tables aid comprehension of the definitions. Cross-references throughout, a list of acronyms and notations allow easy access to the information needed to solve a specific research problem. Examples of descriptor calculations along with tables of descriptor values for a set of selected reference compounds and an up-to-date reference list add to the practical value of the book, making it an invaluable guide for all those dealing with bioactive molecules as well as for researchers.

A Primer on QSAR/QSPR Modeling

2015-04-11 Science
Download A Primer on QSAR/QSPR Modeling PDF Online Free

Author :
Release : 2015-04-11
Genre : Science
Kind : eBook
Book Rating : 816/5 ( reviews)

GET EBOOK


Book Synopsis A Primer on QSAR/QSPR Modeling by : Kunal Roy

Download or read book A Primer on QSAR/QSPR Modeling written by Kunal Roy. This book was released on 2015-04-11. 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.

You may also like...