Molecular Descriptors for Chemoinformatics, 2 Volume Set (Methods and Principles in Medicinal Chemistry)

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9783527318520: Molecular Descriptors for Chemoinformatics, 2 Volume Set (Methods and Principles in Medicinal Chemistry)

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.

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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, so-called '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 six years has been painstakingly surveyed, resulting in more than 100 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, the greatly expanded introductory section has been completely re-written and now contains several "walk-through" reading lists of selected keywords to make the data even more accessible for novice users.

About the Author:

Roberto Todeschini is full professor of chemometrics at the Department of Environmental Sciences of the University of Milano-Bicocca (Milano, Italy), where he constituted the Milano Chemometrics and QSAR Research Group. His main research activities concern chemometrics in all its aspects, QSAR, molecular descriptors, multicriteria decision making and software development. President of the International Academy of Mathematical Chemistry, president of the Italian Chemometric Society and "ad honorem" professor of the University of Azuay (Cuenca, Ecuador), he is author of more than 170 publications in international journals and of the books "The Data Analysis Handbook", by I.E. Frank and R. Todeschini, 1994; and "Handbook of Molecular Descriptors", by R. Todeschini and V. Consonni, 2000.

Viviana Consonni received her PhD in chemical sciences from the University of Milano in 2000 and is now full researcher of chemometrics and chemoinformatics at the Department of Environmental Sciences of the University of Milano-Bicocca (Milano, Italy). She is a member of the Milano Chemometrics and QSAR Research Group and has 10 years experience in multivariate analysis, QSAR, molecular descriptors, multicriteria decision making, and software development. She is author of more than 40 publications in peer-reviewed journals and of the book "Handbook of Molecular Descriptors," by R. Todeschini and V. Consonni, 2000. In 2006, she obtained the International Academy of Mathematical Chemistry Award for distinguished young researchers and, in June 2009, has been elected as youngest Member of the Academy.

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Roberto Todeschini (author), Viviana Consonni (author), Raimund Mannhold (series editor), Hugo Kubinyi (series editor), Gerd Folkers (series editor)
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Book Description Wiley VCH Verlag Gmbh Jul 2009, 2009. Buch. Book Condition: Neu. Neuware - Dieses Handbuch richtet sich an alle, die einen umfassenden Überblick über die verschiedenen Ansätze zur quantitativen Strukturbeschreibung von Molekülen suchen. Neben der Definition, Kennzeichnung und Formel zu allen bekannten Moleküldeskriptoren enthält es Rechenbeispiele, Molekülzeichnungen und Tabellen mit Deskriptorwerten ausgewählter Referenzverbindungen. Querverweise sowie Listen der gängigen Akronyme und Abkürzungen ermöglichen einen raschen Zugang zur gesuchten Information. 1220 pp. Englisch. Bookseller Inventory # 9783527318520

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Book Description Wiley VCH Verlag Gmbh Jul 2009, 2009. Buch. Book Condition: Neu. Neuware - Dieses Handbuch richtet sich an alle, die einen umfassenden Überblick über die verschiedenen Ansätze zur quantitativen Strukturbeschreibung von Molekülen suchen. Neben der Definition, Kennzeichnung und Formel zu allen bekannten Moleküldeskriptoren enthält es Rechenbeispiele, Molekülzeichnungen und Tabellen mit Deskriptorwerten ausgewählter Referenzverbindungen. Querverweise sowie Listen der gängigen Akronyme und Abkürzungen ermöglichen einen raschen Zugang zur gesuchten Information. 1220 pp. Englisch. Bookseller Inventory # 9783527318520

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Book Description Wiley VCH Verlag Gmbh Jul 2009, 2009. Buch. Book Condition: Neu. Neuware - Dieses Handbuch richtet sich an alle, die einen umfassenden Überblick über die verschiedenen Ansätze zur quantitativen Strukturbeschreibung von Molekülen suchen. Neben der Definition, Kennzeichnung und Formel zu allen bekannten Moleküldeskriptoren enthält es Rechenbeispiele, Molekülzeichnungen und Tabellen mit Deskriptorwerten ausgewählter Referenzverbindungen. Querverweise sowie Listen der gängigen Akronyme und Abkürzungen ermöglichen einen raschen Zugang zur gesuchten Information. 1220 pp. Englisch. Bookseller Inventory # 9783527318520

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Book Description Wiley VCH Verlag Gmbh Jul 2009, 2009. Buch. Book Condition: Neu. Neuware - Quantitative Untersuchungen von Struktur-Wirkungs- und Struktur-Eigenschafts-Beziehungen sind wesentliche Voraussetzungen für die gezielte Wirkstoffsuche. In den vergangenen Jahren wurden deshalb verstärkt Strategien zur Charakterisierung und Klassifizierung von Strukturmustern mit Hilfe von Moleküldeskriptoren entwickelt. Somit kann man heute nicht nur Strukturinformationen aus Datenbanken miteinander vergleichen, sondern mit Hilfe der Moleküldeskriptoren nach potentiell bioaktiven Molekülen in den immer größer werdenden Verbindungsbibliotheken gezielt suchen. Dieses praxisorientierte Handbuch richtet sich an alle, die einen umfassenden Überblick über die variantenreichen Ansätze zur quantitativen Strukturbeschreibung von Molekülen und den entsprechenden Deskriptoren suchen. Neben der Definition, Kennzeichnung und zugehörigen Formel finden sich zu allen Deskriptoren Zahlenbeispiele und Molekülzeichnungen. Zahlreiche Abbildungen und Tabellen veranschaulichen die beschriebenen Me thoden. Querverweise zwischen den alphabetisch geordneten Einträgen sowie Listen der gängigen Akronyme und Abkürzungen ermöglichen einen raschen Zugang zur gesuchten Information. Beispiele für die Berechnung von Moleküldeskriptoren, Tabellen mit Deskriptorwerten ausgewählter Referenzverbindungen und aktuelle Literaturverweise runden dieses Nachschlagewerk ab. 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. 1220 pp. Englisch. Bookseller Inventory # 9783527318520

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Book Description 2009. Hardcover. Book Condition: New. 2nd. Hardcover. 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 h.Shipping may be from our Sydney, NSW warehouse or from our UK or US warehouse, depending on stock availability. 1257 pages. 2.740. Bookseller Inventory # 9783527318520

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