Combinatorial library design

["Boyd" <boyd &$at$& chem.iupui.edu>]

Hello All,
 I would like to bring attention to the latest issue of the
 Journal of Molecular Graphics and Modelling (Vol. 18, No. 4/5).
 It is a special issue on "Advances in Combinatorial Library
 Design" organized by Dr. Dimitris Agrafiotis (3-Dimensional
 Pharmaceuticals) and Dr. Eric Martin (Chiron).  The articles are:
 Robert P. Sheridan, Sonia G. SanFeliciano, and Simon K. Kearsley,
 Designing targeted libraries with genetic algorithms.
 Paul Beroza, Erin K. Bradley, John E. Eksterowicz, Robert
 Feinstein, Jonathan Greene, Peter D. J. Grootenhuis, Randall M.
 Henne, John Mount, William A. Shirley, Andrew Smellie, Robert
 V. Stanton, and David C. Spellmeyer, Applications of random
 sampling to virtual screening of combinatorial libraries.
 Sarah J. Edgar, John D. Holliday and Peter Willett, Effectiveness of
 retrieval in similarity searches of chemical databases: A review
 of performance measures.
 Andrew R. Leach, Richard A. Bryce, and Alan J. Robinson, The
 synergy between combinatorial chemistry and de novo design.
 Dmitrii N. Rassokhin and Dimitris K. Agrafiotis, The Kolmogorov-
 Smirnov statistic and its applications in library design.
 Eric J. Martin and Thomas J. Hoeffel, Oriented substituent
 pharmacophores PRopErtY Space (OSPPREYS): A substituent-
 based calculation that describes the library products better than
 the corresponding product-based calculation.
 Robert D. Clark, David E. Patterson, Farhad Soltanshahi, James F.
 Blake, and James B. Matthew, Visualizing substructural
 fingerprints.
 Marvin Waldman, Hong Li, and Moises Hassan, Novel algorithms
 for the optimization of molecular diversity of combinatorial
 libraries.
 Robert D. Brown, Moises Hassan, and Marvin Waldman,
 Combinatorial library design for diversity, cost efficiency and
 drug-like character.
 Jonathan S. Mason and Brett R. Beno, Library design using BCUT
 chemistry-space descriptors and multiple 4-point
 pharmacophore fingerprints - simultaneous optimization and
 structure-based diversity.
 John M. Barnard, Geoff M. Downs, Annette von Scholley-Pfab, and
 Robert D. Brown.  Use of Markush structure analysis techniques
 for SMILES and fingerprint generation and clustering large
 combinatorial libraries.
 Paul Labute, A widely applicable set of descriptors.
 Shenghua Shi, Zhengwei Peng, Jaroslaw Kostrowicki, Genevieve
 Paderes, Atsuo Kuki, Efficient combinatorial filtering for desired
 molecular properties of reaction products.
 Michael S. Siani, A. Geoffrey Skillman, Christopher W. Carreras,
 Gary Ashley, Irwin D. Kuntz, and Daniel V. Santi, Development
 and screening of a polyketide virtual library for drug leads
 against a motilide pharmacophore.
 Tudor I. Oprea, Johan Gottfries, Vladamir Shcherbukhin, Peder
 Svensson, and Thomas C. K?hler, Chemical information
 management in drug discovery: optimizing the computational
 and combinatorial chemistry interfaces.
 Online versions of the articles are at www.chemweb.com.
 Thanks, Don
 Donald B. Boyd, Ph.D.
 Editor, Journal of Molecular Graphics and Modelling
 Member, American Chemical Society's Computers in Chemistry Division
 E-mail boyd &$at$& chem.iupui.edu
 Web http://chem.iupui.edu/~boyd/jmgm.html
 (Please excuse cross-posting.)