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Ecotoxicological Quantitative Structure–Activity Relationships for Pharmaceuticals

Abstract

This paper examined active pharmaceutical ingredients (APIs) acute ecotoxicological modes of action (MOA). It was concluded that the vast majority of APIs acute MOA was non-specific narcosis as; 85% out of 59 APIs had an excess toxicity ratio <7; 70% of the APIs ecotoxicity was overestimated based on a narcotic model; and the majority of APIs Log EC50-Log K ow regression slopes (−0.49 to −0.86) were within the range of the universal narcosis slopes. However, hydrophobicity is likely not the proper descriptor for assessment of pharmacodynamic APIs chronic ecotoxicity, to asses this accurately new experimental methods need development.

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Correspondence to Hans Sanderson.

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Sanderson, H., Thomsen, M. Ecotoxicological Quantitative Structure–Activity Relationships for Pharmaceuticals. Bull Environ Contam Toxicol 79, 331–335 (2007). https://doi.org/10.1007/s00128-007-9249-9

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Keywords

  • Pharmaceuticals
  • Ecotoxicological QSAR
  • Modes-of-action
  • Narcosis