reviewBiomarker ResearchMar 14, 2025GOLD OA

Integrating artificial intelligence in drug discovery and early drug development: a transformative approach

Universidad San Pablo CEU · Instituto de Investigación Sanitaria del Hospital Clínico San Carlos · +10 more institutions

PubMed
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Abstract

Artificial intelligence (AI) can transform drug discovery and early drug development by addressing inefficiencies in traditional methods, which often face high costs, long timelines, and low success rates. In this review we provide an overview of how to integrate AI to the current drug discovery and development process, as it can enhance activities like target identification, drug discovery, and early clinical development. Through multiomics data analysis and network-based approaches, AI can help to identify novel oncogenic vulnerabilities and key therapeutic targets. AI models, such as AlphaFold, predict protein structures with high accuracy, aiding druggability assessments and structure-based drug design. AI…

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