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评估高通量筛选计算。

Evaluating the high-throughput screening computations.

作者信息

Lang Paula Therese, Kuntz Irwin D, Maggiora Gerald M, Bajorath Jürgen

机构信息

Chemistry and Chemical Biology Graduate Program, University of California, San Francisco, CA, USA.

出版信息

J Biomol Screen. 2005 Oct;10(7):649-52. doi: 10.1177/1087057105281269. Epub 2005 Sep 16.

Abstract

The judges evaluated the submissions for the McMaster University High-Throughput Data-Mining and Docking Competition based on 3 criteria: identification of active compounds, percent enrichment, and overview of the competition. Using these metrics, 4 of the participating groups found meaningful enrichment, and 3 groups made perceptive comments about the general nature of the competition.

摘要

评委们基于三个标准对麦克马斯特大学高通量数据挖掘与对接竞赛的参赛作品进行了评估

活性化合物的识别、富集百分比以及竞赛概述。根据这些指标,4个参赛小组发现了有意义的富集情况,3个小组对竞赛的总体性质做出了深刻的评论。

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