Steric Fit in Quantitative Structure-Activity Relations

Author:   A.T. Balaban ,  A. Chiriac ,  I. Motoc ,  Z. Simon
Publisher:   Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Volume:   15
ISBN:  

9783540097556


Pages:   178
Publication Date:   01 April 1980
Format:   Paperback
Availability:   Out of stock   Availability explained
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Steric Fit in Quantitative Structure-Activity Relations


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Overview

"Although the importance of steric fit for receptor-effector 1 interactions was recognized since Emil Fischer proposed his ""lock and key"" theory, the whole area of steric properties is still in a very 2-4 early stage of development. We have a fairly good idea about el- tronic and hydrophobic parameters, but it is not easy to describe ste- ric shapes of molecules without a large number of data. There are se- veral cases of good QSAR's developed for rather large series of mole- 5 cules without steric parameters - for example see papers by Hansch , 6 or Franke , but the state of steric parameters is nevertheless one of the most important drawbacks, especially concerning the ability of en- compassing, within a single QSAR, molecules of different shapes and stereoisomers. From today's steric parameters, one may mention the 7 Taft parameters E ' which gave good results in organic chemistry, the S 8 10 ra th er cum b ersome way 0 f measurIng * s h ape d'ff I ere h ces 0 f Amoore - and , 11 12 AllInger ,and the L, B -B parameters of Verloop 1 4 The work described here consists of two types of approaches to the steric fit problem. The first approach consists of developing new parameters to describe different characteristics of the molecular shape (i. e. , branching, bulkiness); this is done by means of topological in- dices."

Full Product Details

Author:   A.T. Balaban ,  A. Chiriac ,  I. Motoc ,  Z. Simon
Publisher:   Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Imprint:   Springer-Verlag Berlin and Heidelberg GmbH & Co. K
Volume:   15
Dimensions:   Width: 17.00cm , Height: 1.00cm , Length: 24.40cm
Weight:   0.349kg
ISBN:  

9783540097556


ISBN 10:   3540097554
Pages:   178
Publication Date:   01 April 1980
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Paperback
Publisher's Status:   Active
Availability:   Out of stock   Availability explained
The supplier is temporarily out of stock of this item. It will be ordered for you on backorder and shipped when it becomes available.

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