Multiple regression analysis is a basic statistical tool used for QSAR studies in drug design. However, there is a risk or arriving at fortuitous correlations when too many variables are screened relative to the number of available observations. In this regard, a critical distinction must be made between the number of variables screened for possible correlation and the number which actually app...

The refractive index (n) is one of the most important optical properties that is frequently employed to characterize organic compounds.1 The refractive index is defined as a ratio of the velocity of light in a vacuum to the velocity of light in the substance of interest. It has been used as an indicator of the purity of organic compounds, but the relationship of refractive index to other optica...

In this paper, we defined a novel delta value di in molecular connectivity, and then obtained a novel kind of valence molecular connectivity index. The potential usefulness of the novel kind of valence molecular connectivity index in QSAR/QSPR is evaluated by its correlation with a number of molecules and by a favorable comparison with models based on molecular connectivity index. q 2003 Elsevi...