Research data for: The environmental fate of Novichok degradation products: application of in silico methods for the prediction of hydrolysis and biodegradation

Research data associated with the 2025 Environment International article by Noga, Jurowski, Kuca and Nepovimová. The collection contains the original input files, computational output reports, screenshots and summary tables for the study of six selected Novichok degradation products. The retained research files are supplied unchanged. README, file inventory, checksums and links to software documentation accompany the data. The results are computational predictions and must be interpreted with the limitations discussed in the associated article. This collection is linked to NCN PRELUDIUM 22 grant 2023/49/N/NZ7/03044.