Background
There is probably no other concept that contributed to the development of chemistry so remarkably as the ill-defined, qualitative concept of similarity. Not despite, but rather because of certain fuzziness, the applicability of this concept is extremely broad and touched practically all areas of chemistry. Because of fundamental role that similarity plays in so many fields of chemistry it is hardly surprising that similarity studies become the focus of intense scientific interest in recent years. The main attention is devoted to the design of new quantitative measures of molecular similarity. The important role in this respect belongs to the so-called similarity indices, whose systematic exploitation is the subject of rapidly growing interest. The great attention in this respect is devoted to the rationalization of the structure-activity relationships since it is believed that the application of quantitative similarity measures can have important impact for the rational design of new biologically active compounds, new materials for microelectronics, nonlinear
optics etc.
Recent publications
Ponec R., Strnad M.: Topological Aspects of Chemical Reactivity. Evans/Dewar principle in Terms of Molecular Similarity Approach. J. Phys. Org. Chem. 4, 701 (1991).
Ponec R., Strnad M.: On the Structure of Transition States in Forbidden Pericyclic reactions. The Second Order Similarity Approach. J. Phys. Org. Chem. 5, 764 (1992).
Ponec R., Strnad M.: Similarity Ideas in the Theory of Pericyclic Reactions. J. Chem. Inf. Comp. Sci. 32, 693 (1992).
Ponec R., Strnad M.: Position Invariant Index for Assesment of Molecular Similarity. Croat. Chem. Acta 66, 123 (1993).
Ponec R., Strnad M.: Topological Aspects of Chemical Reacivity. Electron Correlation in the Course of Pericyclic Reactions. Coll. Czech. Chem. Commun. 58, 1751 (1994).
Ponec R., Strnad M.: Novel Approach to Molecular Similarity. Second Order Similarity Index from Geminal Expansion of pair densities. Int. J. Quant. Chem. 49, 35 (1994).
Ponec R.: Similarity Models in the Theory of Pericyclic Reactions. Topics Curr. Chem. 174, 1-26 (1995).