Share

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.

An Introduction to Chemoinformatics

2007-09-04 Science
Download An Introduction to Chemoinformatics PDF Online Free

Author :
Release : 2007-09-04
Genre : Science
Kind : eBook
Book Rating : 915/5 ( reviews)

GET EBOOK


Book Synopsis An Introduction to Chemoinformatics by : Andrew R. Leach

Download or read book An Introduction to Chemoinformatics written by Andrew R. Leach. This book was released on 2007-09-04. Available in PDF, EPUB and Kindle. Book excerpt: This book aims to provide an introduction to the major techniques of chemoinformatics. It is the first text written specifically for this field. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part describes other important topics including molecular similarity and diversity, the analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts, supplemented with case studies from the literature.

Molecular Descriptors for Chemoinformatics, 2 Volume Set

2009-08-17 Science
Download Molecular Descriptors for Chemoinformatics, 2 Volume Set PDF Online Free

Author :
Release : 2009-08-17
Genre : Science
Kind : eBook
Book Rating : 520/5 ( reviews)

GET EBOOK


Book Synopsis Molecular Descriptors for Chemoinformatics, 2 Volume Set by : Roberto Todeschini

Download or read book Molecular Descriptors for Chemoinformatics, 2 Volume Set written by Roberto Todeschini. This book was released on 2009-08-17. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Descriptors for Chemoinformatics As every chemist knows, there is a direct (if complex) relationship between the molecular structure of a compound and its chemical behavior. Predicting such behavior is possible by an abstract representation of its structure in terms of chemical similarity parameters, socalled ‘descriptors’. These are most useful in predicting the pharmacological properties of drug candidates, but are also used in predicting reactivity, toxicity and other important chemical characteristics. The number-one reference on the topic now contains a wealth of new data: The entire relevant literature over the past eight years has been pain-stakingly 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 around 3300 terms for the chemoinformatic analysis of chemical compound properties, while the second volume contains 6343 references selected from 450 journals with about 7000 authors quoted covering the period from the beginning of molecular descriptor research until the year 2008. In this second edition, several sections have been completely rewritten and organized in a more effective way. The greatly expanded introductory section now contains several “walk-through” reading lists of selected keywords to make the data even more accessible for novice users.

Molecular Descriptors for Chemoinformatics, 2 Volume Set

2009-08-17 Science
Download Molecular Descriptors for Chemoinformatics, 2 Volume Set PDF Online Free

Author :
Release : 2009-08-17
Genre : Science
Kind : eBook
Book Rating : 520/5 ( reviews)

GET EBOOK


Book Synopsis Molecular Descriptors for Chemoinformatics, 2 Volume Set by : Roberto Todeschini

Download or read book Molecular Descriptors for Chemoinformatics, 2 Volume Set written by Roberto Todeschini. This book was released on 2009-08-17. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Descriptors for Chemoinformatics As every chemist knows, there is a direct (if complex) relationship between the molecular structure of a compound and its chemical behavior. Predicting such behavior is possible by an abstract representation of its structure in terms of chemical similarity parameters, socalled ‘descriptors’. These are most useful in predicting the pharmacological properties of drug candidates, but are also used in predicting reactivity, toxicity and other important chemical characteristics. The number-one reference on the topic now contains a wealth of new data: The entire relevant literature over the past eight years has been pain-stakingly 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 around 3300 terms for the chemoinformatic analysis of chemical compound properties, while the second volume contains 6343 references selected from 450 journals with about 7000 authors quoted covering the period from the beginning of molecular descriptor research until the year 2008. In this second edition, several sections have been completely rewritten and organized in a more effective way. The greatly expanded introductory section now contains several “walk-through” reading lists of selected keywords to make the data even more accessible for novice users.

You may also like...