Summary: lipophilicity, logP, clustering



 Dear CCLs,
 thanks to all, who have answered to my question:
 Wilfried Langenaeker
 Janssen Research Foundation
 Nick Jewell
 Dept. of Information Studies
 Sheffield University, UK
 Gregory L. Durst
 Lilly Research Laboratories
 Indianapolis, IN 46285   USA
 Dr. Volker Jonas
 San Diego Supercomputer Center
 Donald B. Boyd, Ph.D.
 Research Professor of Chemistry
 Indiana University-Purdue University at Indianapolis
 Before coming to the summary, here is the original question:
 as a freshman in the field, I would like to know if there are any recent
 reviews on the following topics:
 - calculation of logP (lipophilicity) of organic molecules
 - recent advances in cluster analysis(especially for HUGE databases),
   based upon molecular similarity,
 - recent developments of measures of molecular similarity.
 In the replies, the following references were given:
 G. Boon, F. De Proft, W. Langenaeker and P. Geerlings, "The
 Use of Density Functional Theory based Reactivity Descriptors in Molecular
 Similarity Calculations" Chemical Physics Letters, 295, 122 (1998).
 N. Jewell, Internet Journal of Chemistry (www.ijc.com)
 in the Gasteiger Skolnjikn Award Section (1998)
 A. Leo, "Chem. Reviews", 93(4), (1993), 1281-1306.
 P. Buchwold and N. Bodor, "Curr. Med. Chem.", 5, (1998), 353-380.
 Merz, JPC B 103(4), 714 (1999).
 P.-A. Carrupt, B. Testa, and P. Gaillard, in Reviews in Computational
 Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1997,
 Vol. 11, pp. 241-315.  Computational Approaches to Lipophilicity:  Methods and
 Applications.
 G. M. Downs and P. Willett, in Reviews in Computational Chemistry, K. B.
 Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 7, pp.
 1-66.  Similarity Searching in Databases of Chemical Structures.
 Thanks again to all contributors,
 Michael