Wyniki wyszukiwania - BazTech

Ograniczanie wyników

Znaleziono wyników: 1

Liczba wyników na stronie

Wyniki wyszukiwania

Sortuj według:

Ogranicz wyniki do:

An Optimal Characterization of Structure by Means of several Molecular Connectivity and Complexity Indices

Marinich J., Maguna F., Okulik N., Castro E. A.

Polish Journal of Chemistry

2002

Vol. 76 / nr 4

589-600

(Received April 9th, 2001; revised manuscript November 21st, 2001) An improved numerical procedure is presented in order to enhance the possibilities of fitting polynomial equations to predict log P data within the realm of the QSAR/QSPR theory. The use of real exponents instead of restricting to integer ones for the variables in the mathematical equations gives better results and a minor number of independent variables are needed to achieve a given accuracy degree. Some possible future extensions of the method are pointed out.