The non-stochastic and stochastic atom-based three dimensional(3D)-chiral quadratic indices are applied to predictthe binding affinities of 26 stereoisomers of fenoterol with the β2-adrenoceptor (β2-AR). The prediction of β2-ARbinding affinities of the stereoisomers is carried out by multiple linear regression analysis. Two statistically significant QSAR models are obtained when non-stochastic (R 2= 0.941 and s = 0.19) and stochastic (R2 = 0.947 and s =0.18) 3D-chiral quadratic indices are used. These models show adequate predictive power (assessed by the leaveone-out cross-validation experiment), yielding values of q2= 0.909 ( scv = 0.219) and q2 = 0.917 (scv = 0.208), respectively. These models compare favorably with a 3D-QSAR equation obtained with the CoMFA method (R 2 = 0.920, q2= 0.847 and scv = 0.309). The results of our work demonstrate the usefulness of our topological approach for theprediction of biological activity, even in those studies in which the three-dimensional configuration of the chemicalsplay an important role in the bioactivity
