cs.AI updates on arXiv.org 07月29日 12:21
Programmable Virtual Humans Toward Human Physiologically-Based Drug Discovery
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本文探讨了人工智能在药物发现中的应用,提出虚拟人体模型的概念,强调其在模拟药物作用、优化治疗效果和安全性方面的潜力,并分析了其实现的关键机遇和挑战。

arXiv:2507.19568v1 Announce Type: cross Abstract: Artificial intelligence (AI) has sparked immense interest in drug discovery, but most current approaches only digitize existing high-throughput experiments. They remain constrained by conventional pipelines. As a result, they do not address the fundamental challenges of predicting drug effects in humans. Similarly, biomedical digital twins, largely grounded in real-world data and mechanistic models, are tailored for late-phase drug development and lack the resolution to model molecular interactions or their systemic consequences, limiting their impact in early-stage discovery. This disconnect between early discovery and late development is one of the main drivers of high failure rates in drug discovery. The true promise of AI lies not in augmenting current experiments but in enabling virtual experiments that are impossible in the real world: testing novel compounds directly in silico in the human body. Recent advances in AI, high-throughput perturbation assays, and single-cell and spatial omics across species now make it possible to construct programmable virtual humans: dynamic, multiscale models that simulate drug actions from molecular to phenotypic levels. By bridging the translational gap, programmable virtual humans offer a transformative path to optimize therapeutic efficacy and safety earlier than ever before. This perspective introduces the concept of programmable virtual humans, explores their roles in a new paradigm of drug discovery centered on human physiology, and outlines key opportunities, challenges, and roadmaps for their realization.

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人工智能 药物发现 虚拟人体模型 药物效果预测 生物信息学
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