Mr. Degiorgi et al., QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS (QSAR) STUDY OF A SERIES OF DISPERSE HETEROCYCLIC AZO DYES - A CHEMOMETRIC APPROACH, Annali di chimica, 85(9-10), 1995, pp. 543-551
The fastness properties of a series of thiadiazolyl azo dyes, to be us
ed as disperse dyes for polyester fibres, have been explored by a chem
ometric approach. Experimental Design techniques were used to select a
minimum number of representative compounds to be synthesized. The wet
and light fastness properties of this small ''training set'' were mea
sured and analyzed as a function of structure by the Partial Least Squ
ares (PLS) method. The established QSAR model allowed the prediction o
f the properties of new dyes, which, after synthesis and measurement,
confirmed the predictions. Some dyes with outstanding properties were
identified.