druglikeness


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druglikeness

The structural or functional similarity of a chemical to a known therapeutic agent. It includes several components, including the size and shape of the molecule, its ability to bind hydrogen, or its ability to be taken up by lipids or water.
References in periodicals archive ?
Developed in our previous study, this model combines druglikeness evaluation, oral bioavailability prediction, multiple drug targets prediction as well as network pharmacology techniques.
Compared with the antifungal activity of the most active molecules (6f and 6g), the druglikeness calculation showed good correlation and confirmed the importance of removing the benzyl group, and the introduction of a hydroxyl group in the 4-aryl substituent of the tetrahydroquinoline structure (Table 3).