基于分子描述符和机器学习方法预测和虚拟筛选MMP-13对MMP-1的选择性抑制剂
李秉轲, 丛湧, 田之悦, 薛英
Predicting and Virtually Screening the Selective Inhibitors of MMP-13 over MMP-1 by Molecular Descriptors and Machine Learning Methods
LI Bing-Ke, CONG Yong, TIAN Zhi-Yue, XUE Ying
物理化学学报
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2014, (1): 171
-182
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DOI: 10.3866/PKU.WHXB201311041