The long-range (4JHH) coupling constants of 28 compounds, cyclopentane and
cyclohexane derivatives, have been analyzed by means of principal component analysis …

The integrated molecular transform (FTm) is a unitary structure index that has been
successfully used for the correlation of 2‐and 3‐dimensional structure representations with …

A mathematically consistent definition of series was derived by the application of Principal
Component Analysis to 3-D similarity indices (ASP Software). For two data sets of aromatic …

Seventy four empirical relationships including in an explicit form one or two of the structural
parameters (bond length, bond angle, torsion angle) are collected and classified. Additional …

The practical usefulness of a correlation equation as well as its significance in theory
strongly depend on its range of validity, not only as it is defined but also as its use is …

This paper presents a hierarchical cluster analysis of the principal values of the 13C
chemical shift tensors encountered in polycyclic aromatic hydrocarbons (PAHs). Because of …

The coupling constants of a series of acetylenic derivatives have been calculated using the
finite perturbation method. In the case of dimethylated derivatives a Karplus-type …

This book, Correlation Analysis in Chemistry: Recent Advances, is a sequel to our Advances
in Linear Free Energy Relationships. t The change in the title is designed to reflect more …

The molecular similarity concept serves as a tool for rationalizing the design of potential
bioactive molecules. This report examines a way to determine molecular similarity among …

A very large set of one-bond spin–spin carbon–carbon coupling constants, 1JCC, has been
measured for 32 variously mono-and disubstituted pyridine N-oxides and for 14 substituted …