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Updated: Jun 7, 2025

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对预测蛋白质 - 配体结合位点的方法进行比较评估

Javier S Utgés1, Geoffrey J Barton2

  • 1Division of Computational Biology, School of Life Sciences, University of Dundee, Dow Street, Dundee, DD1 5EH, Scotland, UK.

Journal of cheminformatics
|November 12, 2024
PubMed
概括

准确的蛋白质 - 配体结合部位预测至关重要. 这项研究使用新的LIGYSIS数据集对13种方法进行了基准测试,提出顶部N+2回忆作为提高性能和可重复性的通用指标.

关键词:
一个基准的基准.绑定的口袋绑定的口袋药物发现 药物发现连接物结合部位的预测.机器学习是机器学习.参考数据集是一个参考数据集.

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