Collect. Czech. Chem. Commun. 1981, 46, 58-64

Simplex search for mathematical representation of chemical class structure

Oldřich Štrouf and Jiří Fusek

Institute of Inorganic Chemistry, Czechoslovak Academy of Sciences, 250 68 Řež


A simplex algorithm useful in the search for the mathematical representation of the class structure is described. The use of this algorithm in combination with an appropriate pattern recognition classification method is discussed from the point of view of its application in chemistry.