The following structures were corrected in November 2022:
We identified some errors in compound structures within the EAWAG-SOIL package, specifically concerning the Mandipropamid and Bromoxynil pathways. As part of our corrective measures, the following changes were made:
Changed structures in Mandipropamid pathway:
Changed structures in the Bromoxynil pathway:
We analysed the EAWAG-SOIL package using RDKit to detect any potential problematic structures. Most of the identified structures had an incorrect valence count, and they were majorly 14-C labeled spike compounds. We have made the following changes:
Corrected structure in pesticide TPs TR-11 and UN-2 in the Oryzalin pathway:
Corrected structures in spike compounds:
Deleted spike compounds (because duplicated after corrections):