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METHOD FOR PREDICTING DRUG-TARGET INTERACTIONS AND USES FOR DRUG REPOSITIONING
METHOD FOR PREDICTING DRUG-TARGET INTERACTIONS AND USES FOR DRUG REPOSITIONING
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机译:预测药物-药物相互作用的方法及其在药物重新分配中的用途
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摘要
Described herein are methods of predicting drug-target interactions and method of using the information for drug repurposing. The methods described herein combine different descriptors including, for example, shape, topology and chemical signatures, physico-chemical functional descriptors, contact points of the ligand and the target protein, chemical similarity, and docking score.
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