CCL:QSAR Review

Hi Roberta,

> I would like a list of some good reviews on QSAR. This would
> include

I see that you have had a pretty good response so far, Don Boyd certainly knows his review series ! I have dabbled in QSAR from time to time so, at the risk of cluttering up the list, I thought I might let you know about some of mine as it might give a different perspective.

> review articles and some relevant books. I am particularly
> interested=20 in some of the details such as the choice of
> descriptors, how to design a training set etc.

In addition to the reviews I have written a book which is a practical guide to the methods (including set design) so that might be some help. The book is:

"Data Analysis for Chemists: Application to QSAR and Chemical Product Design" Oxford University Press, 1995, ISBN 0 19 855728 0.



and some book chapters are:



"Quantitative Structure Activity Relationships" in "Similarity Models in Chemistry, Biochemistry and Related Fields", T.M. Krygowski, J. Shorter and R. Zalewski (Eds), pp 557-627, Elsevier, Amsterdam, 1991.



"Pattern Recognition Methods for use in Rational Drug Design" in "Molecular Design and Modeling: Concepts and Applications", J.J. Langone (Ed.), Vol. 203 of Methods in Enzymology, Academic Press, 1991 pp 613-638.



"Neural Networks - A Tool for Drug Design" with D.T. Manallack in "Advanced Computer-Assisted techniques in Drug Discovery", volume 3 of "Methods and Principles in Medicinal Chemistry", H. van de Waterbeemd (Ed.), VCH, Weinheim, New York, 1994 pp 293-318.



"Neural Networks in the Search for Similarity and Structure-Activity" with D.W. Salt in "Molecular Similarity Tools for Drug Design", P.M. Dean (Ed.), Blackie Academic and Professional, London, Glasgow, 1995 pp 187-214.



"Electronic Structure Calculations in Quantitative Structure Property Relationships" with M.R. Saunders in Volume 1 of "Advances in Quantitative Structure Property Relationships", M. Charton (Ed.), JAI Press, Greenwich, London, 1996, pp 53-79.



?Structure-Property Correlations in Molecular Design? in ?Structure-Property Correlations in Drug Research?, H. van de Waterbeemd (Ed.), R.G. Landes, Austin, USA, 1996, pp 81-110.



A couple of very recent reviews are:

?Neural Networks in Drug Discovery; Have they Lived up to Their Promise ?? D.T. Manallack and D.J. Livingstone, Eur. J. Med. Chem., 34, 195-208 (1999).

?The Characterization of Chemical Structures Using Molecular Properties. A Survey? D.J. Livingstone, J. Chem. Inf. Comput. Sci., in press.

I hope this helps, happy reading !

David L.
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