Quantitative Structure Activity Relationships(Q)SAR models are based on one of the most widely used techniques in the field of chemo informatics.
These are complex mathematical algorithms that facilitate, economize and accelerate the predictive evaluation of the properties or biological activities of chemical compounds based exclusively on their molecular structure. They are based on the fact that there is a relationship between the structure of a compound and its activity, an idea proposed by the Scottish chemist Crum Brown more than a hundred years ago, and widely demonstrated since then.
These models allow computational estimation of the physicochemical, biological or toxicological properties of compounds whose activity is unknown, without the need for laboratory experimentation, based on data from other compounds whose values for these properties are known.
The use of (Q)SARs has provided reliable information that is comparable and sufficient to meet the information requirements. (Q)SARs must be scientifically validated and the substance must fall within the scope of applicability of the model. As with any other form of data, it must provide sufficient documentation to allow independent evaluation of the results.
Today, in different countries around the world, QSAR studies for the pharmaceutical and agrochemical industry are requested by regulatory authorities. In Mexico, they have been required for several years by COFEPRIS for the registration of active ingredients for pesticides.
QSAR Analytics is the pioneer company in Mexico and Latin America that performs QSAR studies. The quality of our reports provides peace of mind and full support to our clients. As a result, to date we have zero rejections before COFEPRIS.
If you want to know more, click here