Artificial intelligence in the 21st century: the treasure hunt for systematic mining of natural products

Advancements in genome mining, high-throughput sequencing and experimental techniques have generated an enormous amount of data on natural products. This has led to the design and development of advanced machine learning (ML) and artificial intelligence (AI) algorithms which have simplified the search for novel natural products in the 21st century. These algorithms could effectively analyse the chemical structure of natural products and predict their biological function. They could also effectively analyse large sets of data in a sophisticated manner. In this context, this article reviews the various AI/ML algorithms employed in natural products-based drug discovery. Particular attention is paid to case studies employing AI tools in plant and microbial research. Challenges associated with the use of AI tools for natural products research have also been discussed