Molecular Descriptors for Chemoinformatics
Volume I: Alphabetical Listing / Volume II: Appendices, References
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…
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Produktdetails
Weitere Autoren: Consonni, Viviana / Mannhold, Raimund / Kubinyi, Hugo / Folkers, Gerd
- ISBN: 978-3-527-31852-0
- EAN: 9783527318520
- Produktnummer: 3784840
- Verlag: Wiley-VCH
- Sprache: Englisch
- Erscheinungsjahr: 2009
- Seitenangabe: 1257 S.
- Masse: 2 Bde.; H24.0 cm x B17.0 cm x D7.4 cm 2'762 g
- Auflage: 2. A.
- Reihenbandnummer: 41
- Gewicht: 2762
Über den Autor
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.
5 weitere Werke von Roberto Todeschini:
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