Quantitative structure–activity relationship

The term Quantitative structure-activity relationship is derived from the English Quantitative Structure -Activity Relationship (QSAR ). He describes the creation of a quantitative relationship between a pharmacological, chemical, biological, physical (eg boiling point) effect of a molecule by its chemical structure. Sometimes you can find in the literature the term QSPR, the acronym for Quantitative Structure Property Relationship, here we limit ourselves the relationship between the physical and chemical properties of a molecule and its structure represent. Especially in the field of drug development and chemo computer science will find a wide application of these principles.

Initial work in this area are believed to have originated already in 1842 by Kopp, who established a linear relationship between the boiling points of alkanes with their chain length (° C). A pioneer in this field in biochemistry Corwin Hansch was in the U.S..