Author: J. Devillers
Publisher: Springer Science & Business Media
ISBN: 9401131988
Category : Science
Languages : en
Pages : 435
Book Description
Based on the Lectures given during the Eurocourse on `Applied Multivariate Analysis in SAR and Environmental Studies' held at the Joint Research Centre, Ispra, Italy, June 24-28, 1991
Applied Multivariate Analysis in SAR and Environmental Studies
Author: J. Devillers
Publisher: Springer Science & Business Media
ISBN: 9401131988
Category : Science
Languages : en
Pages : 435
Book Description
Based on the Lectures given during the Eurocourse on `Applied Multivariate Analysis in SAR and Environmental Studies' held at the Joint Research Centre, Ispra, Italy, June 24-28, 1991
Publisher: Springer Science & Business Media
ISBN: 9401131988
Category : Science
Languages : en
Pages : 435
Book Description
Based on the Lectures given during the Eurocourse on `Applied Multivariate Analysis in SAR and Environmental Studies' held at the Joint Research Centre, Ispra, Italy, June 24-28, 1991
Molecular Descriptors for Chemoinformatics
Author: Roberto Todeschini
Publisher: John Wiley & Sons
ISBN: 9783527628773
Category : Science
Languages : en
Pages : 1257
Book Description
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.
Publisher: John Wiley & Sons
ISBN: 9783527628773
Category : Science
Languages : en
Pages : 1257
Book Description
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.
Reviews in Computational Chemistry, Volume 18
Author: Kenny B. Lipkowitz
Publisher: John Wiley & Sons
ISBN: 0471461423
Category : Science
Languages : en
Pages : 384
Book Description
Seit vielen Jahren praxisbewährt! Auch dieser 18. Band der Reihe Reviews in Computational Chemistry gibt Studenten und Forschern einen Einblick in Rechenverfahren, die sie anwenden wollen, ohne daß die theoretischen Grundlagen zu ihrem Arbeitsgebiet gehören. Das methodische Spektrum umfaßt Molecular Modeling, Quantenchemie, CAMD, QSAR, Molekülmechanik und -dynamik. Mit einem Autoren- und einem Stichwortverzeichnis sowie einer ausführlichen Softwareliste, die Hunderte von Programmen, Dienstleistungen und Anbietern umfaßt.
Publisher: John Wiley & Sons
ISBN: 0471461423
Category : Science
Languages : en
Pages : 384
Book Description
Seit vielen Jahren praxisbewährt! Auch dieser 18. Band der Reihe Reviews in Computational Chemistry gibt Studenten und Forschern einen Einblick in Rechenverfahren, die sie anwenden wollen, ohne daß die theoretischen Grundlagen zu ihrem Arbeitsgebiet gehören. Das methodische Spektrum umfaßt Molecular Modeling, Quantenchemie, CAMD, QSAR, Molekülmechanik und -dynamik. Mit einem Autoren- und einem Stichwortverzeichnis sowie einer ausführlichen Softwareliste, die Hunderte von Programmen, Dienstleistungen und Anbietern umfaßt.
Genetic Algorithms in Molecular Modeling
Author: James Devillers
Publisher: Academic Press
ISBN: 0080532381
Category : Science
Languages : en
Pages : 345
Book Description
Genetic Algorithms in Molecular Modeling is the first book available on the use of genetic algorithms in molecular design. This volume marks the beginning of an ew series of books, Principles in Qsar and Drug Design, which will be an indispensible reference for students and professionals involved in medicinal chemistry, pharmacology, (eco)toxicology, and agrochemistry. Each comprehensive chapter is written by a distinguished researcher in the field. Through its up to the minute content, extensive bibliography, and essential information on software availability, this book leads the reader from the theoretical aspects to the practical applications. It enables the uninitiated reader to apply genetic algorithms for modeling the biological activities and properties of chemicals, and provides the trained scientist with the most up to date information on the topic. - Extremely topical and timely - Sets the foundations for the development of computer-aided tools for solving numerous problems in QSAR and drug design - Written to be accessible without prior direct experience in genetic algorithms
Publisher: Academic Press
ISBN: 0080532381
Category : Science
Languages : en
Pages : 345
Book Description
Genetic Algorithms in Molecular Modeling is the first book available on the use of genetic algorithms in molecular design. This volume marks the beginning of an ew series of books, Principles in Qsar and Drug Design, which will be an indispensible reference for students and professionals involved in medicinal chemistry, pharmacology, (eco)toxicology, and agrochemistry. Each comprehensive chapter is written by a distinguished researcher in the field. Through its up to the minute content, extensive bibliography, and essential information on software availability, this book leads the reader from the theoretical aspects to the practical applications. It enables the uninitiated reader to apply genetic algorithms for modeling the biological activities and properties of chemicals, and provides the trained scientist with the most up to date information on the topic. - Extremely topical and timely - Sets the foundations for the development of computer-aided tools for solving numerous problems in QSAR and drug design - Written to be accessible without prior direct experience in genetic algorithms
Reviews in Computational Chemistry, Volume 7
Author: Kenny B. Lipkowitz
Publisher: John Wiley & Sons
ISBN: 0470126116
Category : Science
Languages : en
Pages : 441
Book Description
This is the seventh volume in the successful series designed to help the chemistry community keep current with the many new developments in computational techniques. The writing style is refreshingly pedagogical and non-mathematical, allowing students and researchers access to computational methods outside their immediate area of expertise. Each invited author approaches a topic with the aim of helping the reader understand the material, solve problems, and locate key references quickly.
Publisher: John Wiley & Sons
ISBN: 0470126116
Category : Science
Languages : en
Pages : 441
Book Description
This is the seventh volume in the successful series designed to help the chemistry community keep current with the many new developments in computational techniques. The writing style is refreshingly pedagogical and non-mathematical, allowing students and researchers access to computational methods outside their immediate area of expertise. Each invited author approaches a topic with the aim of helping the reader understand the material, solve problems, and locate key references quickly.
Metabolomics Coming of Age with its Technological Diversity
Author:
Publisher: Academic Press
ISBN: 0123984785
Category : Science
Languages : en
Pages : 714
Book Description
Advances in Botanical Research publishes in-depth and up-to-date reviews on a wide range of topics in plant sciences. Currently in its 67th volume, the series features several reviews by recognized experts on all aspects of plant genetics, biochemistry, cell biology, molecular biology, physiology and ecology. This thematic volume features reviews on metabolomics coming of age with its technological diversity. - Publishes in-depth and up-to-date reviews on a wide range of topics in plant sciences - Features a wide range of reviews by recognized experts on all aspects of plant genetics, biochemistry, cell biology, molecular biology, physiology and ecology - Volume features reviews on metabolomics coming of age with its technological diversity
Publisher: Academic Press
ISBN: 0123984785
Category : Science
Languages : en
Pages : 714
Book Description
Advances in Botanical Research publishes in-depth and up-to-date reviews on a wide range of topics in plant sciences. Currently in its 67th volume, the series features several reviews by recognized experts on all aspects of plant genetics, biochemistry, cell biology, molecular biology, physiology and ecology. This thematic volume features reviews on metabolomics coming of age with its technological diversity. - Publishes in-depth and up-to-date reviews on a wide range of topics in plant sciences - Features a wide range of reviews by recognized experts on all aspects of plant genetics, biochemistry, cell biology, molecular biology, physiology and ecology - Volume features reviews on metabolomics coming of age with its technological diversity
Computational Design of Chemicals for the Control of Mosquitoes and Their Diseases
Author: James Devillers
Publisher: CRC Press
ISBN: 1351647695
Category : Medical
Languages : en
Pages : 479
Book Description
There is a compelling need for new drugs and efficient treatments against mosquito-borne diseases. Environmentally safe, but effective insecticides that address the problems of resistance are required. Computational Design of Chemicals for the Control of Mosquitoes and Their Diseases explains how the search for new substances effective against mosquitoes and their diseases has benefited from the use of in silico techniques. QSAR modeling is suited to identify the key structural features and/or physicochemical properties explaining an activity and to propose candidate molecules for further evaluation by laboratory tests. Homology modeling is useful to approximate the 3D structure of proteins of interest. Pharmacophore modeling is a powerful means to capture the chemical features responsible for an activity and to identify new potentially active compounds via the virtual screening of databases. Fugacity modeling and a wealth of other modeling paradigms are useful for risk assessment in vector borne disease control.
Publisher: CRC Press
ISBN: 1351647695
Category : Medical
Languages : en
Pages : 479
Book Description
There is a compelling need for new drugs and efficient treatments against mosquito-borne diseases. Environmentally safe, but effective insecticides that address the problems of resistance are required. Computational Design of Chemicals for the Control of Mosquitoes and Their Diseases explains how the search for new substances effective against mosquitoes and their diseases has benefited from the use of in silico techniques. QSAR modeling is suited to identify the key structural features and/or physicochemical properties explaining an activity and to propose candidate molecules for further evaluation by laboratory tests. Homology modeling is useful to approximate the 3D structure of proteins of interest. Pharmacophore modeling is a powerful means to capture the chemical features responsible for an activity and to identify new potentially active compounds via the virtual screening of databases. Fugacity modeling and a wealth of other modeling paradigms are useful for risk assessment in vector borne disease control.
Molecular Similarity in Drug Design
Author: P.M. Dean
Publisher: Springer Science & Business Media
ISBN: 9401113505
Category : Science
Languages : en
Pages : 358
Book Description
Molecular similarity searching is fast becoming a key tool in organic chemistry. In this book, the editor has brought together an international team of authors, each working at the forefront of this technology, providing a timely and concise overview of current research. The chapters focus principally on those methods which have reached sufficient maturity to be of immediate practical use in molecular design.
Publisher: Springer Science & Business Media
ISBN: 9401113505
Category : Science
Languages : en
Pages : 358
Book Description
Molecular similarity searching is fast becoming a key tool in organic chemistry. In this book, the editor has brought together an international team of authors, each working at the forefront of this technology, providing a timely and concise overview of current research. The chapters focus principally on those methods which have reached sufficient maturity to be of immediate practical use in molecular design.
Juvenile Hormones and Juvenoids
Author: James Devillers
Publisher: CRC Press
ISBN: 1466513225
Category : Science
Languages : en
Pages : 410
Book Description
Juvenile hormones (JHs) are a group of structurally related sesquiterpenes secreted by the insect corpora allata. They affect most insect life-cycle stages and physiological functions, including embryogenesis, larval and adult development, metamorphosis, reproduction, metabolism, diapause, polyethism, and migration. Juvenoids such as methoprene, hy
Publisher: CRC Press
ISBN: 1466513225
Category : Science
Languages : en
Pages : 410
Book Description
Juvenile hormones (JHs) are a group of structurally related sesquiterpenes secreted by the insect corpora allata. They affect most insect life-cycle stages and physiological functions, including embryogenesis, larval and adult development, metamorphosis, reproduction, metabolism, diapause, polyethism, and migration. Juvenoids such as methoprene, hy
Handbook of Molecular Descriptors
Author: Roberto Todeschini
Publisher: John Wiley & Sons
ISBN: 3527613110
Category : Science
Languages : en
Pages : 688
Book Description
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.
Publisher: John Wiley & Sons
ISBN: 3527613110
Category : Science
Languages : en
Pages : 688
Book Description
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.