نتایج جستجو برای: quantitative structure activity relationship

تعداد نتایج: 3215994  

2001
Michael E. Porter Nicolaj Siggelkow

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...

Journal: :Journal of medicinal chemistry 1979
J G Topliss R P Edwards

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...

Journal: :Journal of Chemical Information and Computer Sciences 1998
Alan R. Katritzky Sulev Sild Mati Karelson

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...

2003
X. H. Li A. F. Jalbout M. Solimannejad

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...

Fatemeh Shafiei

It is well known that the chemical behavior of a compound is dependent upon the structure of itsmolecules. Quantitative structure – activity relationship (QSAR) studies and quantitative structure –property relationship (QSPR) studies are active areas of chemical research that focus on the nature ofthis dependency. Topological indices are the numerical value associated with chemical constitution...

2005
JOSEF FRIEDRICH

Structure-property correlation uses the occurrence of specific structural features within chemical molecules in statistical analyses. The features are correlated with physicochemical properties or biological activities. Quantitative structure-activity relationships (QSAR) have been predominantly applied to the design of drugs (see Ariens, 1971) and to the understanding of drug disposition (Lien...

Journal: :iranian journal of basic medical sciences 0
farzin hadizadeh biotechnology research center, mashhad university of medical sciences, mashhad, iran saadat vahdani department of chemistry, islamic azad university-north tehran branch, tehran, iran mehrnaz jafarpour school of pharmacy, shiraz university of medical sciences, shiraz, iran

objective(s): the structure- activity relationship of a series of 36 molecules, showing l-type calcium channel blocking was studied using a qsar (quantitative structure–activity relationship) method. materials and methods: structures were optimized by the semi-empirical am1 quantum-chemical method which was also used to find structure-calcium channel blocking activity trends. several types of d...

2003
R. BENIGNI

. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 Activity vs Potency: Different QSAR Models . . . . . . . . . . . . . ....

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