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15 天
New reverse sum Revan indices for physicochemical and pharmacokinetic properties of anti ...
The methodology for computation of indices, QSPR analysis with comparative result between existing and proposed indices and comparison of MLR and ANN modelling technique are visualized in Figure 1.
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1 个月
视频 | 010 使用ADMET Predictor自建QSAR/QSPR预测模型(英文字幕)
本视频讲解并演示了如何使用ADMET Predictor软件内置的定量结构-性质关系QSPR模型进行化合物的ADMET性质预测;并重点介绍了如何利用自己的试验或文献中的数据搭建新的QSPR模型,如何将建好模型导出并分享;最后讲解了如何构建DELTA模型(用户将自己的数据加载到 ...
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