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Cytochrome P450 3A4 (CYP3A4) is the predominant enzyme involved in the oxidative metabolic pathways of many drugs. The inhibition of this enzyme in many cases leads to an undesired accumulation of the administered therapeutic agent. The purpose of this study is to develop in silico model that can effectively distinguish human CYP3A4 inhibitors from non-inhibitors. Structural diversity of the drug-like...
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