QSAR

Abstract

The speed, intensity, and duration of the biological response of an organism to a chemical compound is directly related to the structure of the compound. For decades, scientists have attempted to understand exactly what this relationship is so that better compounds can be designed. In 1964, with the publication of two seminal articles outlining a new paradigm call Quantitative Structure‐Activity Relationships or QSAR, pesticide and drug discovery moved from a process driven by observation and analogy to one driven by statistics and quantitative models. In the late twentieth century, high throughput screening and combinatorial chemistry have moved the design process to one of volume and probability. The success of this approach is still dependent on the same principles as those developed in 1964.