| Main Title |
Molecular structure description : the electrotopological state / |
| Author |
Kier, Lemont B.
|
| Other Authors |
|
| Publisher |
Academic Press, |
| Year Published |
1999 |
| OCLC Number |
40883022 |
| ISBN |
0124065554; 9780124065550 |
| Subjects |
Drugs--Structure-activity relationships ;
Drugs--Design ;
Structure-activity relationships (Biochemistry) ;
Chemical models ;
Drug Design ;
Models, Chemical ;
Arzneimitteldesign ;
Mathematisches Modell ;
Molek ulstruktur
|
| Internet Access |
|
| Holdings |
| Library |
Call Number |
Additional Info |
Location |
Last
Modified |
Checkout
Status |
| ELBM |
RM301.42.K53 1999 |
No CD-Rom |
AWBERC Library/Cincinnati,OH |
04/03/2024 |
|
| Collation |
xx, 245, 41 pages : illustrations ; 24 cm + 1 computer optical disc (4 3/4 in.) |
| Notes |
Includes bibliographical references and index. |
| Contents Notes |
1. Introduction -- 2. The Electrotopological State -- 3. Significance and Interpretations of the E-State Indices -- 4. Extended Forms of the E-State -- 5. Strategies for Use of the E-State -- 6. Database Applications: Molecular Similarity and Diversity -- 7. Structure-Activity Studies: Atom-Level Indices -- 8. Structure-Activity Studies: Mixed Indices -- 9. Structure-Activity Studies: Atom-Type Indices -- 10. Future Directions of E-State Studies -- E-Calc User's Guide. "The electrotopological state is a new approach to defining key structural features of a molecule in drug design. Combining both electronic and topological attributes, the E-State index facilitates the development of a structure - activity model, the definition of a pharmacophore, and the search through a database for similar or dissimilar compounds. The background for the method, the concept of the intrinsic state, and the E-State index as a function of the atom or group within the field of all atoms in a molecule are all described in this primer for a new structure paradigm. Software on the bundled CD-ROM allows the reader to compute and display the E-State indices for molecules, while examples in the book illustrate strategies that can be used in drug research."--Jacket. |
| Place Published |
San Diego |
| Access Notes |
System requirements: Microsoft Windows 95, Windows NT version 4.0 or higher, Microsoft Windows 98; at least 16 MB RAM. |
| PUB Date Free Form |
1999 |
| BIB Level |
m |
| Medium |
unmediated |
| Content |
text |
| Carrier |
volume |
| Cataloging Source |
OCLC/T |
| LCCN |
98089313 |
| Merged OCLC records |
61722797; 1011914302; 1048984643; 1049758676; 1053005547; 1055043404; 1056808487; 1069413450; 1105332295; 1107569486; 1109766906 |
| OCLC Time Stamp |
20240327213018 |
| Language |
eng |
| Origin |
OCLC |
| Type |
CAT |
| OCLC Rec Leader |
04416cam 2200745 a 45010 |
