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Hossein Shirani1, Seyed Majid Hashemianzadeh1
1Molecular Simulation Research Laboratory, Department of Chemistry, Iran University of Science and Technology, P.O. Box 16846-13114, Tehran, Iran.
机器学习准确地预测了利沃多巴等药物分子的潜在能量表面,加速了药物设计. 这种量子水平的方法提供了高效和有效的计算药物发现.
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