PARADOX: pharmacological analysis of relation anomalies and drug contradictions extraction.

IF 3 3区 生物学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY
Ali Fata, Hossein Rahmani
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引用次数: 0

Abstract

The rapid expansion of biomedical literature has led to a growing number of contradictory pharmacological reports, where the same drug interactions are described with opposing outcomes across studies. Critically, many such reports are only apparent contradictions arising from mismatched experimental conditions such as dosage, strain, endpoint, or population, rather than logically incompatible claims under comparable settings. These inconsistencies complicate drug safety evaluation and hinder the reliability of automated biomedical knowledge systems. In this paper, we introduce PARADOX, a framework for the detection and analysis of pharmacological contradictions in scientific text. The system integrates BioBERT-based embeddings, a Siamese similarity model, and an iterative refinement using a snowball process to progressively extract and refine conflicting relational statements. Each candidate contradiction is semantically verified using GPT-4o-mini, producing a structured contradiction graph derived from validated outputs. Beyond detection, we introduce a three-stage decision-tree protocol to distinguish real contradictions from apparent ones and outline a conditional biological modulation map that summarizes how identical pharmacological inputs may yield divergent outcomes under different conditions. On more than 18,000 evaluated pairs, the model recovered 39 validated contradiction candidates with only three misses. Qualitative analysis shows both genuine logical conflicts and opposing statements better explained by contextual differences or missing metadata. The results highlight the potential of contradiction-aware mining to strengthen pharmacovigilance, enhance literature consistency checking, and support more robust biomedical reasoning.

悖论:关系异常的药理学分析与药物矛盾提取。
生物医学文献的迅速扩张导致了越来越多的相互矛盾的药理学报告,其中相同的药物相互作用在不同的研究中被描述为相反的结果。关键的是,许多这样的报告只是由不匹配的实验条件(如剂量、菌株、终点或人群)引起的明显矛盾,而不是在可比设置下逻辑上不相容的声明。这些不一致性使药物安全性评估复杂化,并阻碍了自动化生物医学知识系统的可靠性。在本文中,我们介绍PARADOX,一个检测和分析科学文本中药理学矛盾的框架。该系统集成了基于biobert的嵌入、暹罗相似性模型和使用滚雪球过程逐步提取和精炼冲突关系语句的迭代改进。使用gpt - 40 -mini对每个候选矛盾进行语义验证,从验证的输出中生成结构化矛盾图。除了检测之外,我们还引入了一个三阶段决策树协议来区分真正的矛盾和明显的矛盾,并概述了一个条件生物调节图,该图总结了在不同条件下相同的药理输入如何产生不同的结果。在超过18,000对被评估的配对中,该模型恢复了39个经过验证的矛盾候选项,只有3个错误。定性分析表明,真正的逻辑冲突和相反的陈述都可以通过上下文差异或缺少元数据来更好地解释。结果强调了矛盾感知挖掘在加强药物警戒、加强文献一致性检查和支持更稳健的生物医学推理方面的潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Journal of Computer-Aided Molecular Design
Journal of Computer-Aided Molecular Design 生物-计算机:跨学科应用
CiteScore
8.00
自引率
8.60%
发文量
56
审稿时长
3 months
期刊介绍: The Journal of Computer-Aided Molecular Design provides a form for disseminating information on both the theory and the application of computer-based methods in the analysis and design of molecules. The scope of the journal encompasses papers which report new and original research and applications in the following areas: - theoretical chemistry; - computational chemistry; - computer and molecular graphics; - molecular modeling; - protein engineering; - drug design; - expert systems; - general structure-property relationships; - molecular dynamics; - chemical database development and usage.
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