HODC-AES v1.0.0: A Reliability-Aware Benchmark for Higher-Order Drug-Combination Adverse-Event Signal Prediction

HODC-AES is a reliability-aware benchmark for higher-order drug-combination adverse-event signal prediction in computational pharmacovigilance. This v1.0.0 release contains the full archival benchmark package, including processed benchmark artifacts, generated contrastive negatives, prediction outputs, paper-ready tables and figures, documentation, release metadata, and SHA256 checksums. The benchmark is built from public FAERS quarterly reports and is designed for evaluation under random and temporal validation, hard-negative protocols, calibration analysis, top-k alert-budget evaluation, and temporal generalization-gap analysis. Main release statistics:- 973,898 positive signal candidates- 1,500,000 generated contrastive negatives- Five negative protocols: random, drug-count-matched, frequency-matched, one-drug-replacement, and hybrid-hard- Zero known-positive overlap among generated negatives- 165,878 unique drug combinations- 12,311 unique reaction terms Important: HODC-AES treats FAERS-derived labels as reported pharmacovigilance signal candidates, not as confirmed causal clinical drug-drug interactions. The resource is intended for research use only and not for clinical decision-making.HODC-AES是计算药物警戒（computational pharmacovigilance）领域中面向高阶药物组合不良事件信号预测的可靠性感知型基准测试集。 本v1.0.0版本发布了完整的存档基准测试包，涵盖经预处理的基准测试数据集产物、生成的对比负样本、预测结果、可直接用于论文的表格与插图、文档、发布元数据以及SHA256校验和。 该基准测试集基于公开的FDA不良事件报告系统（FAERS）季度报告构建，可用于随机验证与时序验证、难负样本协议、校准分析、Top-K预警预算评估及时序泛化差距分析等任务。 本次发布的核心统计数据如下： - 973,898个阳性信号候选样本 - 1,500,000个生成的对比负样本 - 五种负样本协议：随机匹配、药物数量匹配、频率匹配、单药物替换以及混合难负样本协议 - 生成的负样本与已知阳性样本无重叠 - 165,878种独特药物组合 - 12,311个独特不良事件术语 重要提示：HODC-AES将源自FAERS的标签视为上报的药物警戒信号候选，而非已确认的因果性临床药物相互作用。本资源仅用于研究用途，不得用于临床决策。