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A computational framework for predicting drug Mode-of-Action

机译:预测药物作用方式的计算框架

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The problem of large scale computational drug screening is considered in this paper. A computational framework is developed for microarray profile of drug treatment from the Connectivity Map (cMap) project. The framework is proposed to address the deficiency of cMap prediction. This scheme includes construction of drug Mode-of-Actions (MoA) and subsequently Mode-of-Action (MoA) network, or MoANet and a MoA prediction algorithm based on MoAs. The scheme is tested on the cMap data and an independent data set. The result shows significant improvement over cMap.
机译:本文考虑了大规模计算药物筛选的问题。从连通性图(cMap)项目开发了用于药物治疗微阵列图谱的计算框架。提出该框架以解决cMap预测的不足。该方案包括构造药物作用模式(MoA),然后构造作用模式(MoA)网络,或MoANet和基于MoA的MoA预测算法。该方案在cMap数据和独立数据集上进行了测试。结果表明,与cMap相比有了显着改进。

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