案例研究:QSAR模型中的匹配分子对方法

2017 International Conference on Information Science and Communications Technologies (ICISCT) Pub Date : 2017-11-01 DOI:10.1109/ICISCT.2017.8188583

F. Adilova, Alisher Ikramov

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引用次数: 0

摘要

现代药物发现组织产生大量的SAR数据。匹配分子对(MMP)方法是一种很有前途的方法，可以用来挖掘这些化学数据，以确定新的结构-活性关系。然而，在充分利用MMP方法的潜力之前，需要一种能够在中等计算硬件上识别大型化学数据集中所有mmmp的MMP识别方法。

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Case study: Matched molecular pairs approach in QSAR modelling

Modern drug discovery organizations generate large volumes of SAR data. A promising methodology that can be used to mine this chemical data to identify novel structure-activity relationships is the matched molecular pair (MMP) methodology. However, before the full potential of the MMP methodology can be utilized, a MMP identification method that is capable of identifying all MMPs in large chemical data sets on modest computational hardware is required.

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2017 International Conference on Information Science and Communications Technologies (ICISCT)

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