Dyes used in the coloration of textiles, paper, and other products are highly visible,
sometimes toxic, and sometimes resistant to biological breakdown; thus it is important to …

The structure of cellulose fibre is discussed in relation to the relevance of the ligand–
receptor concept for dye–fibre binding. An outline of qualitative SAR (structure–activity …

Multiple Linear Regression (MLR) analysis and Neural Network (NN) calculations are
applied to a series of 21 disazo anionic dyes. Three-dimensional Q SAR parameters were …

Shape analysis is a powerful tool in chemistry and drug design, and molecular surface
defines shape in the molecular scale. In the current publication we presented a novel …

Comparative molecular field analysis (CoMFA), a three-dimensional quantitative structure-
activity approach, was used to interpret the affinity of a series of anthraquinone vat dyes to …

Despite recent investigations aimed at modeling 3D QSAR for dye molecules a controversy
still exists: can a pharamacophore hypothesis be used for such purposes. In the present …

Lipophilicity in cellulose dyeing has been modelled by correlations of dye structural
parameter with dye affinity and lipophilic dye parameters. In a series of anionic azo dyes …

Twenty-seven disperse azo dyes were analyzed using Quantitative Structure-Activity
Relationship (QSAR) methods by correlating variations in the chemical structure with—Δμ° …

In the current work we investigated 3D-QSAR data by the use of the coupled leave-several-
out (LSO) and leave-one-out (LOO) cross-validation (CV) procedures. We verified the above …

This paper presents quantitative structure− activity relationship (QSAR) models for a series
of 21 heterocyclic monoazo dyes applied on cellulose fiber by comparative molecular field …