DrugBank和TWOSIDES
DrugBank和TWOSIDES是用于药物-药物相互作用预测的公共数据集，包含86种药物药理相互作用和209种副作用类型。
基本信息
资源简介
DrugBank和TWOSIDES
【数据集背景】
本数据集源站标题为《arXiv Query: search_query=&id_list=2410.18583v2&start=0&max_results=1》。源站首次发布：2024-10-24。
【数据内容】
源站原始描述：Predicting drug-drug interaction (DDI) plays an important role in pharmacology and healthcare for identifying potential adverse interactions and beneficial combination therapies between drug pairs. Recently, a flurry of graph learning methods have been introduced to predict drug-drug interactions. However, evaluating existing methods has several limitations, such as the absence of a unified comparison framework for DDI prediction methods, lack of assessments in meaningful real-world scenarios, a…
【主题与分类】
主题标签：cs.LG。
【适用方向】
结构化表格数据可直接用于统计建模、特征工程与队列分析。
【获取与许可】
源站页面：https://arxiv.org/abs/2410.18583v2
下载信息
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使用方式
数据集说明
DrugBank和TWOSIDES 对应论文数据集（arXiv 预印本）。
数据获取指引
- 打开论文页面获取作者与项目信息：https://arxiv.org/abs/2410.18583v2
- 论文 Data Availability / Code Availability 章节标注了数据实际托管位置；
- 获取到实际数据链接后，按对应平台标准方式下载。
论文摘要：Abstract:Motivation: Emerging drug-drug interaction (DDI) prediction is crucial for new drugs but is hindered by distribution changes between known and new drugs in real-world scenarios. Current evaluation often neglects these changes, relying on unrealistic i.i.d. split due to the absence of drug approval data. Results: We propose DDI-Ben, a benchmarking framework for emerging DDI prediction under distribution changes. DDI-Ben introduces a distribution change simulation framework that leverages distribution changes between drug sets as a surrogate for real-world distribution changes of DDIs, and is compatible with various drug split strategies. Through extensive benchmarking on ten representative methods, we show that most existing approaches suffer substantial performance degradation under distribution changes. Our analysis further indicates that large language model (LLM) based methods and the integration of drug-related textual information offer promising robustness against such degradation. To support future research, we release the benchmark datasets with simulated distribution changes. Overall, DDI-Ben highlights the importance of explicitly addressing distribution changes and provides a foundation for developing more resilient methods for emerging DDI prediction. Availability and implementation: Our code and data are available at this https URL.
数据缺失？
依托陕西、四川两大基地，我们与超过十家三甲医院建立直接合作关系，覆盖合规授权、采集治理、专业标注、数据交付的全流程，为AI医疗团队提供即拿即用的高质量临床数据。
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