Enumeration in Chemistry

Overall one might break down the applications of enumeration in chemistry into two broad areas, first an early historically important one concerning isomer enumeration, and second a variety of other emmieration problems arising in detailed descriptions of individual substances. Thence in this section we briefly recall these two broad categories of emmieration, and thereafter attempt a broad view of chemical emmieration, and its future. Thereafter in the ensuing sections we focus more tightly on methodology and recent results. 

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In the present Report we review the literature on combinatorial enumeration in chemistry published in the last two years - from June 2003 to May 2005. This represents a continuation of our reporting on advances in counting objects in chemistry since June 1999. The first Report was entitled Enumeration in Chemistry1 in which we reviewed historically important enumerations, enumeration methods and the literature published between June 1999 to May 2001. The second Report was entitled Combinatorial Enumeration in Chemistry2 in which we reviewed the literature published between June 2001 and May 2003 and some past achievements related to the discussed results. 

In the last six years we reported on a number of novel results achieved in the combinatorial enumeration in chemistry. In the period of 1999-2001, we... 

S. Fujita, Symmetry and Combinatorial Enumeration in Chemistry, Springer, Berlin, 1991. 

D. Babic, D.J. Klein, J. von Knop, and N. Trinajstic, Combinatorial enumeration in chemistry, in Chemical modelling Applications and theory, ed. A. HinchUffe, Vol. 3, Royal Society of Chemistry, Cambridge, 2004, pp. 126-170. 

A. Milicevic and N. Trinajstic, Combinatorial enumeration in chemistry, in Chemical model-... 

Relationships between carcinogenity and theoretical reactivity indices in polycyclic conjugated hydrocarbons are outside the scope of this review, but interested readers can find some introductory material in refs 424-427. A recent review on enumerations in chemistry, which includes historical material, an outline of enumerative methods, and reports on the current results, can be found in A Specialist Periodical Report Chemical Modelling Application and Theory. ... 

Klein, D. J. Babid, D. Trinajstid, N. Enumeration in Chemistry. A Specialist Periodical Report Chemical Modelling Applications and Theory, Vol. 2 Hinchliffe, A., Senior Reporter The Royal Society of Chemistry London, 2002 pp 55—95. 

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