Pathway Prediction System | PredictBT Workshops | Biochemical Periodic Tables
EAWAG-BBD Pathway Prediction System
Purpose and ScopeThe PPS predicts plausible pathways for microbial degradation of chemical compounds. Predictions use biotransformation rules, based on reactions found in the EAWAG-BBD database or in the scientific literature. A list of all rules is available.
PPS predictions are most accurate for compounds that are:
Biodegradation of some types of compounds should not be predicted. More information is available.
UseFirst, either draw the compound whose degradation is to be predicted and click "Write SMILES", or enter a SMILES string. Next, click "Continue".
This system uses ChemAxon's novel chemical editor Marvin JS. SMILES string format is described on the SMILES Home Page from Daylight Chemical Information Systems, Inc. For example, a SMILES string for Benzyl Alcohol is "OCc1ccccc1". Other example SMILES strings are found on the Agricultural s-Triazines page.
Choose to see all predicted biotransformations, or only those more likely to occur exposed to air (aerobic likelihood "neutral" or above). Biotransformations are assigned aerobic likelihood by two or more biodegradation experts. Standard conditions assumed for aerobic biotransformations are: exposed to air, in moist soil or water, at neutral pH, 25°C, with no competing or toxic other compounds.