Molecular descriptors for chemoinformatics
著者
書誌事項
Molecular descriptors for chemoinformatics
（Methods and principles in medicinal chemistry / edited by R. Mannhold ... [et al.], Vol. 41）
Wiley-VCH, c2009
2nd ed., Rev. and enlarged ed.
- set
- v. 1 : Alphabetical listing
- v. 2 : Appendices, bibliography
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v. 1 : Alphabetical listing615.19||||114287114287,
v. 2 : Appendices, bibliography615.19||||114288114288 -
v. 1 : Alphabetical listing499.3/To/1300145884,
v. 2 : Appendices, bibliography499.3/To/2300145892 -
v. 1 : Alphabetical listing499.3/MW160673557,
v. 2 : Appendices, bibliography499.3/MW260673560 -
v. 1 : Alphabetical listing499.3:TR17:14310242625,
v. 2 : Appendices, bibliography499.3:TR17:24310242633 -
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内容説明・目次
内容説明
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.
目次
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
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