抽象的

A short note on Structure-activity relationship.

Grover Jianyou

The development of molecular Structure-activity relationships (SARs) is an important approach for facilitating hit discovery in the early stages of drug discovery. SAR is important in many aspects of drug discovery, from primary screening to lead optimization. Work with SARs begins with identifying whether SARs are in fact present in a collection of molecules and their associated activities, attempting to elucidate the details of one or more SARs, and then disseminating this information. Use to make structural changes to optimize characteristics or activities. Fundamentally, understanding the SARs of different molecules enables rational exploration of chemical space that is essentially infinite if there are no signposts. The development of chemical series is always the simultaneous optimization of several physicochemical and biological properties.