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Updated: Jun 5, 2025

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人在循环中的积极学习,以实现目标导向的分子生成

Yasmine Nahal1,2, Janosch Menke3, Julien Martinelli4

  • 1Department of Computer Science, Aalto University, 02150, Espoo, Finland. yasmine.nahal@aalto.fi.

Journal of cheminformatics
|December 9, 2024
PubMed
概括

这项研究引入了使用主动学习和人类反来改进药物发现机器学习模型的自适应方法. 该方法改进了属性预测器,导致更准确的分子生成和更好的药物相似性,克服了现有数据的局限性.

关键词:
积极学习是指积极学习.面向目标的分子生成.人在循环中的人类交互式算法 交互式算法机器学习是机器学习.

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