The determination of the validity of a QSAR model when applied to new compounds is an important concern in the field of QSAR and QSPR modeling. Various scoring techniques can be applied to specific types of models. We present a technique with which we can state whether a new compound will be well predicted by a previously built QSAR model. In this study we focus on linear regression models only...

To further our understanding of creating and sustaining firm competitive advantage, we need to recognize two types of contextuality within firms’ activity systems. First, the benefit of activity configurations can be contextual—while some activity configurations are generically beneficial, others gain their value only as part of particular strategies. Second, interactions among activities can b...

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...

malaria is a parasitic disease with limited chemotherapy options. chemotherapy options are limited; moreover, drug resistant frequently occurs. the speed of drug development should be faster to overcome the emerging drug resistance. in the current study, a series of quinolone derivatives were subjected to quantitative structure activity relationship to identify the ideal physicochemical charact...