Katsumi Yoshida and Tomoko Niwa.
Quantitative Structure-Activity Relationship Studies on Inhibition of HERG Potassium Channels, J. Chem. Inf. Model. 2006, 46(3, 1371-1378.Using descriptors which have clear physicochemical meanings and are familiar to medicinal chemists, the authors carried out 2D-quantitative structure−activity relationship (2D-QSAR) studies on 104 HERG channel blockers with diverse structures collected from the literature, and formulated interpretable models to guide chemical-modification studies and virtual screening. The links to the dataset are on QSAR world at this URL: http://www.qsarworld.com/qsar-datasets-niwa.php