The purpose of this Notice of Special Interest (NOSI) is to encourage the use of artificial intelligence (AI)/ machine learning (ML) methods to accelerate any of the steps of preclinical Drug Discovery (DD): target identification, lead identification, and lead optimization. 

The focus of this NOSI is on preclinical drug discovery. Investigational New Drug (IND)-enabling studies, scale-up for manufacturing, and clinical research and development are out of the scope of this NOSI.

Team science approaches where the strength and knowledge of multiple individuals across computational sciences, biology, and clinical expertise in psychiatric diseases, among others, are strongly encouraged.

For this NOSI, AI/ML refers to AI and its subsets (machine learning, deep learning, neural networks, natural language processing).

Background 

Over the last several years, the NIMH Division of Neuroscience and Basic Behavioral

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