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1College of Pharmacy, University of Illinois, Chicago, IL 61820, USA.
化学信息学和定量结构-活性关系 (QSAR) 建模结合机器学习 (ML) 加快药物发现. 这种方法使用分子描述器和ML算法进行预测分子设计,帮助寻找新药.
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