Free‐Wilson Discriminant Analysis of Antiarrhythmic Phenylpyridines Using PLS
Kiyoshi Hasegawa, Hiromichi Shigyou, Hiroyuki Sonoki, Yoshikastu Miyashita, Shin‐ichi Sasaki · Quantitative Structure-Activity Relationships · 1995
Abstract PLS modelling of antiarrhythmic activity of phenylpyridines based on the Free‐Wilson descriptor matrix is described. The Free‐Wilson descriptor matrix consists of fifteen columns for four substituents (R1, R2, R3 and R4). The contribution of structural fragments to the antiarrhythmic activity is examined by the MLR‐like model Eq. converted from the PLS model. The result corresponds with the previous PLS analysis of phenylpyridines and this correspondence implicitly validates the PLS analysis with the Free‐Wilson descriptor matrix used in this study.