Prediction of Molecular Structure-Property Relationships

The most important tool in the arsenal of the product innovators is the ability to make predictions on which structure would lead to what properties, as well as what structure modifications would lead to what property modifications. The reverse research from a given set of properties to material that has these properties is even more important in creating new products and in modifying existing products. In most cases of molecular properties, it is more realistic to depend on empirical correlations between structure and properties. Forward and reverse searches are currently only available for simple physical-chemical properties, such as boiling points and densities such a facility is still not available for biological properties, such as narcotic and antibiotic activities. The development of such search engines would have a tremendous impact on the productivity of product innovators. 

The odor of ambergris, urine, sandalwood, and musk are believed to be related to their distinct structures, and small structural modifications can influence decisively the odor quality and potency. There are three different classes of musk that are not related in structure  

The existence of these three types of material with totally different structures, and yet the same physiological functions, suggests that it is highly probable that there are some 

Other families of compounds that also possess the same function. If we have a hint on how these diverse structures give rise to the sensation of musk, we would be in a much better position to find the other families of compounds. In the case of perfume and smell, the objective should perhaps be termed structure-activity relations (SARs), instead of the more lofty title of QSAR. 

Market segmentation Buyers of consumer products Buyers of business products Buyers of government products Buyers of export products 

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