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A comprehensive study demonstrating the influence of the solvent composition on the phytotoxicity of compounds, as exemplified by 2,4-D-based ILs with a choline-type cation.

Michał NiemczakWitold StachowiakDamian Krystian KaczmarekMonika GrzankaŁukasz Sobiech
Published in: Pest management science (2023)
The collected findings show that caution is warranted in the exploitation or modification of methodologies for assessing phytotoxicity to ensure the reliable interpretation of obtained results for environmental risk assessment or building quantitative structure-activity relationship (QSAR) models. © 2023 Society of Chemical Industry.
Keyphrases
  • structure activity relationship
  • risk assessment
  • ionic liquid
  • human health
  • molecular docking
  • high resolution
  • molecular dynamics
  • heavy metals
  • climate change
  • mass spectrometry
  • molecular dynamics simulations