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Transforming Computational Drug Discovery with Machine Learning and AI.

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In this Viewpoint, we discuss the current progress in applications of machine learning (ML) and artificial intelligence (AI) to meet the challenges of computational drug discovery. We identify several areas… Click to show full abstract

In this Viewpoint, we discuss the current progress in applications of machine learning (ML) and artificial intelligence (AI) to meet the challenges of computational drug discovery. We identify several areas where existing methods have the potential to accelerate pharmaceutical research and disrupt more traditional approaches.

Keywords: drug discovery; computational drug; machine learning

Journal Title: ACS medicinal chemistry letters
Year Published: 2018

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