Artificial Intelligence Empowers New Approaches to Drug Development

Yanbing Wei; Fajin Lu; Siyi Mo; Jizhao Li; Xiaoren Lei; Jian Huang

doi:10.54097/g443w074

Authors

Yanbing Wei
Fajin Lu
Siyi Mo
Jizhao Li
Xiaoren Lei
Jian Huang

DOI:

https://doi.org/10.54097/g443w074

Keywords:

Artificial Intelligence (AI), Generative Adversarial Networks (GANs), Drug Development, Explainable AI (XAI), Personalized Medicine

Abstract

Artificial Intelligence (AI) is revolutionizing the pharmaceutical industry by significantly enhancing various stages of drug development, from target identification and lead compound discovery to clinical trial optimization. Generative Adversarial Networks (GANs) have emerged as a particularly powerful AI technique, capable of rapidly generating novel molecular structures with high therapeutic potential. This paper discusses the integration of AI into drug development, highlighting the mathematical framework underlying GANs, where a generator produces candidate molecules and a discriminator evaluates their authenticity. Despite the transformative potential of AI, challenges such as data quality, model interpretability, and ethical concerns remain. High-quality datasets are crucial for training AI models, yet inconsistencies and biases present significant hurdles. The "black-box" nature of AI also complicates regulatory approval, necessitating the development of explainable AI (XAI) techniques. Furthermore, ethical considerations around AI’s dual-use potential and data privacy must be addressed. This paper underscores the importance of cross-sector collaboration to overcome these challenges, citing initiatives like open-access databases and joint research projects as critical to advancing AI-enabled drug development. By addressing these issues, AI has the potential to accelerate drug discovery, reduce costs, and pave the way for personalized medicine, ultimately transforming the pharmaceutical industry and improving global health.

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