Pablo Duchowicz, Eduardo A. Castro*
CEQUINOR, Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de la Plata, CC 962, 1900 La Plata, Buenos Aires, Argentina; e-mail: castro@dalton.quimica.unlp.edu.ar
 
 

ABSTRACT

We present a rather simple method to deal with structure-property relationships, showing that good enough results are obtained when resorting to a rudimentary form of information theory. Molecular descriptors are the number and sort of atoms and the chemical bonds. We study the Log P values for a wide variety of organic molecules and compare results with others arising from  an alternative theoretical method. Some possible further possible extensions are pointed out.