Virtual screening using binary kernel discrimination: Effect of noisy training data and the optimization of performance

被引：0

作者：

Chen, Beining ^{[1
]}

Harrison, Robert F. ^{[2
]}

Pasupa, Kitsuchart ^{[2
]}

Willett, Peter ^{[3
]}

Wilton, David J. ^{[3
]}

Wood, David J. ^{[1
,3
]}

Lewell, Xiao Qing ^{[4
]}

机构：

[1] Departments of Chemistry, University of Sheffield, Sheffield S10 2TN, United Kingdom

[2] Department of Automatic Control and Systems Engineering, University of Sheffield, Sheffield S10 2TN, United Kingdom

[3] Department of Information Studies, University of Sheffield, Sheffield S10 2TN, United Kingdom

[4] GlaxoSmithKline Research and Development, Gunnels Wood Road, Stevenage SG1 2NY, United Kingdom

来源：

J. Chem. Inf. Model. | / 2卷 / 478-486期

关键词：

Compendex;

D O I：

暂无

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学科分类号：

摘要：

Chemical compounds - Computation theory - Database systems - Drug products - Optimal systems - Optimization - Screening - Set theory - Virtual reality

引用