4.7 Article

Screening Explorer-An Interactive Tool for the Analysis of Screening Results

期刊

JOURNAL OF CHEMICAL INFORMATION AND MODELING
卷 56, 期 12, 页码 2281-2286

出版社

AMER CHEMICAL SOC
DOI: 10.1021/acs.jcim.6b00283

关键词

-

资金

  1. MNESR fellowship

向作者/读者索取更多资源

Screening Explorer is a web-based application that allows for an intuitive evaluation of the results of screening experiments using complementary metrics in the field. The usual evaluation of screening results implies the separate generation and apprehension of the ROC, predictiveness, and enrichment curves and their glottal metrics. Similarly, partial metrics need to be calculated repeatedly for different fractions of a data set and there exists no handy tool that allows reading partial metrics simultaneously on different charts. For a deeper understanding of the results of screening experiments, we rendered their analysis straightforward by linking these metrics interactively in an interactive usable web-based application. We also implemented simple consensus scoring methods based on scores normalization, standardization (z-scores), and compounds ranking to evaluate the enrichments that can be expected through methods combination. Two demonstration data sets allow the users to easily apprehend the functions of this tool that can be applied to the analysis of virtual and experimental screening results. Screening Explorer is freely accessible at http://stats.drugdesign.fr.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.7
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据