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Change log 0.3.0

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):

changelog_0.3.0.txt · Last modified: 2024/02/07 09:40 by shankar