Книга: Quantitative Structure - Activity Relationship: ADME, Cheminformatics, Differential Solubility, Molecular Design Software, Partition Coefficient, Pharmacokinetics

High Quality Content by WIKIPEDIA articles! Quantitative structure-activity relationship (QSAR) (sometimes QSPR: quantitative structure-property relationship) is the process by which chemical structure is quantitatively correlated with a well defined process, such as biological activity or chemical reactivity. For example, biological activity can be expressed quantitatively as in the concentration of a substance required to give a certain biological response. Additionally, when physicochemical properties or structures are expressed by numbers, one can form a mathematical relationship, or quantitative structure-activity relationship, between the two. The mathematical expression can then be used to predict the biological response of other chemical structures.