Virtual ADMET filters

Chemical library design has always been an important component of chemoinformatics studies and it could be viewed in fact a special case of virtual screening. Chapter 9 by W. Zheng and S.R. Johnson provides an expert overview of computational approaches that are employed in the design of targeted and diverse chemical libraries, including the use of property i.e., ADMET) filters. 

Prediction of various physicochemical properties such as solubihty, lipophhicity log P, pfQ, number of H-donor and acceptor atoms, number of rotatable bonds, polar surface area), drug-likeness, lead-likeness, and pharmacokinetic properties (ADMET profile). These properties can be applied as a filter in the prescreening step in virtual screening. 

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