CHARACTERIZATION OF NOVEL SUBSTITUENT ENTROPY CONSTANT BY CLUSTER ANALYSIS

抄録

Eighteen kinds of current QSAR parameters were analysed by the cluster analysis, and divided into 4 groups, namely, cluster 1=σ_i, |σ_i|, σ_m, F ; cluster 2=σ_π, σ_p, R ; cluster 3=MR, Pr, Vw, σ_s°, △S°, π, Es, Mw ; cluster 4=|σ_π|, ι, μ. Of the eight kinds of parameters belonging to cluster 3, MR, Pr, and Vw can be substituted by σ_s°, whereas π (aromatic group) and Es are expressed by the linear combination of σ_i, σ_π and σ_s°.