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.
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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.
The Osiris Property Explorer calculated the druglikeness and drug-score characteristics based in the list of all available fragments from 3300 traded drugs as well as 15,000 commercially available chemicals (Fluka, Germany).
The above five molecules are toxic free and can bind with PAI1, but the bioactivities of the compounds revealed that 2-(acetylamino)-2-deoxy-A-D-glucopyranose and alpha-L-fucose are having the property of druglikeness at moderate level; the rest cannot be used for the purpose of drug.