Artificial Intelligence in Phytochemical Screening: Bridging Traditional Knowledge and Modern Drug Discovery – A Review

Abstract

Phytochemical compounds are natural products that have been vital in the discovery of therapeutic agents, narrowing the divide between conventional medicine and drug development, which is hindered by prohibitive expenses, workforce requirements, and low throughput, limiting traditional approaches to phytochemical screening. Recent developments in computational techniques have presented new opportunities to discover bioactive molecules with greater efficiency, providing predictive information on their pharmacological potential. Combining ethnobotanical knowledge, phytochemical databases, and computational tools, researchers can now rapidly identify and optimize plant-derived compounds. In addition to highlighting this function in crossing traditional medicine with modern remedies, this review emphasizes the latest development in computational approaches for phytochemical screening and addresses difficulties, obstacles and possibilities for the developing field quickly.