An Introduction to QSAR Methodology
نویسندگان
چکیده
Drug design is an iterative process which begins with a compound that displays an interesting biological profile and ends with optimizing both the activity profile for the molecule and its chemical synthesis. The process is initiated when the chemist conceives a hypothesis which relates the chemical features of the molecule (or series of molecules) to the biological activity. Without a detailed understanding of the biochemical process(es) responsible for activity, the hypothesis generally is refined by examining structural similarities and differences for active and inactive molecules. Compounds are selected for synthesis which maximize the presence of functional groups or features believed to be responsible for activity.
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