Predicted and detected transformation products of 20 organic micropollutants during batch biodegradation with soil

This dataset contains transformation products (TPs) predicted using patRoon 2.3.3 from 20 organic micropollutants. Predictions were performed with BioTransformer 3.0 using the environmental microbial degradation module.

This data is part of the article: Ore A., et al. (2025), "Higher microbial diversity enhances the extent and rate of organic micropollutant biodegradation under aerobic and nitrate-reducing conditions", Water Research (https://doi.org/10.1016/j.watres.2025.124921).  

Files included:

Detected_TPs_MicrobialDiversity.csv - list of transformation products detected in the study. Includes identifiers and associated transformation reactions. 

SuspectListOfTPs.csv - list of transformation products predicted (up to the 7th generation) using BioTransformer3.0 with the environmental microbial degradation module in patRoon. 

SpikedPCs.csv - list of the 20 spiked organic micropollutants (parent compounds) with identifiers.