Deep Learning for Green Chemistry: An AI-Enabled Pathway for Biodegradability Prediction and Organic Material Discovery
Dela Quarme Gbadago,
Gyuyeong Hwang,
Kihwan Lee
et al.
Abstract:The increasing global demand for eco-friendly products is driving innovation in sustainable chemical synthesis, particularly the development of biodegradable substances. Herein, a novel method utilizing artificial intelligence (AI) to predict the biodegradability of organic compounds is presented, overcoming the limitations of traditional prediction methods that rely on laborious and costly density functional theory (DFT) calculations. We propose leveraging readily available molecular formulas and structures r… Show more
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