Molecular quantum similarity in QSAR and drug design /

Molecular quantum similarity in QSAR and drug design /

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Bibliographic Details
Imprint:	Berlin ; New York : Springer, 2000.
Description:	xii, 123 p. : ill. ; 23 cm.
Language:	English
Series:	Lecture notes in chemistry. 73
Subject:	QSAR (Biochemistry) Quantum biochemistry. Quantum pharmacology. Drugs -- Design. Drugs -- Design. QSAR (Biochemistry) Quantum biochemistry. Quantum pharmacology.
Format:	Print Book
URL for this record:	http://pi.lib.uchicago.edu/1001/cat/bib/4346590

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Other authors / contributors:	Carb�-Dorca, Ramon
ISBN:	3540675817 (softcover : acid-free paper)
Notes:	Includes bibliographical references and index.

Table of Contents:

1. Introduction
2. Quantum objects, density functions and quantum similarity measures
3. Application of Quantum Similarity to QSAR
4. Full molecular quantum similarity matrices as QSAR descriptors
5. Quantum self-similarity measures as QSAR descriptors
6. Electron-electron repulsion energy as a QSAR descriptor
7. Quantum similarity extensions to non-molecular systems: Nuclear Quantum Similarity.