This website focuses on polymer biodegradation in the aquatic environment. After curating a dataset based on standard experimental guidelines such as OECD 301 and 302, we developed a machine learning model to predict polymer biodegradation under different conditions. The model uses p-SMILES strings, biodegradation time (days), guideline (e.g., OECD 301F), principle (e.g., closed respirometer), endpoint (e.g., ready or inherent), and acclimation condition (e.g., acclimated or not) as the inputs, and the biodegradation percentage as the output.
For more information on the small molecules model, please visit the Small Molecules Biodegradation.
Two p-SMILES examples (‘*’ refers to the starting and ending points of a repeat unit):
Polyethylene:
*CC*
Polyethylene oxide:
*CCO*