Molecular Descriptors for Chemoinformatics: Volume I: Alphabetical Listing / Volume II: Appendices, References 2 Volume Set

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.


Spis treści:
Volume I: ALPHABETICAL LISTING
Introduction
Historical Perspective
QSAR/QSPR Modeling
How to Learn From This Book
Users Guide
Notations and Symbols
Alphabetical Listing of approx. 3300 entries
Greek Alphabet Entries
Numerical Entries
Volume II: APPENDICES, REFERENCES
Full bibliography of more than 6000 references, selected from 450 journals and covering the period from the beginning of molecular descriptor research until the year 2008
Greek alphabets
Acronyms
Molecular structures


Nota biograficzna:
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.


Okładka tylna:
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.