Using (Quantitative) Structure-Activity Relationships in Pharmaceutical Risk Assessment

Publikation: Beiträge in SammelwerkenAufsätze in SammelwerkenForschungbegutachtet

Authors

Sound risk assessment depends on the availability of sufficient good quality data. To remove the shortcomings of experimental testing, for some time, attempts have been made to reduce the amount of money and time it requires. One option is to correlate the structure of a chemical or parts of its structure with a certain activity or with physicochemical properties (structure-activity relationship = SAR). Computer based expert systems are used for this purpose (“in silico testing”). Such an approach has a comparatively long tradition in the development of new drugs and is an important tool in the drug development process (Kellogg and Semus 2003; Cronin 2003). These systems are used for screening drugs and other chemicals for unwanted side effects (Polloth and Mangelsdorff 1997) and for predicting the physicochemical properties of new compounds such as water solubility and K ow. In the meantime, SAR has become an increasingly important tool in the regulatory process and has now reached the stage where some regulatory agencies such as the US Environmental Protection Agency routinely use QSAR-predicted toxicities as well as environmentally important properties for regulatory purposes (e.g. with the software suite EPISUITE (EPA 2001) which can be downloaded free of charge from the US EPA homepage). It is anticipated that such use will increase in future. The EU will probably accord QSARs greater prominence in the new technical guidance documents which form the basis for risk assessment. There is a good deal of literature describing the application and evaluation of QSAR software in ecotoxicology (for a overview: ECETOC 1998; ECVAM 1997; Boethling and Mackay 2000; Dearden 2002).
OriginalspracheEnglisch
TitelPharmaceuticals in the Environment : Sources, Fate, Effects and Risks
HerausgeberKlaus Kümmerer
Anzahl der Seiten4
ErscheinungsortBerlin
VerlagSpringer Verlag
Erscheinungsdatum01.01.2004
Auflage2
Seiten387-390
ISBN (Print)3-540-21342-2, 978-3-662-09261-3
ISBN (elektronisch)978-3-662-09259-0
DOIs
PublikationsstatusErschienen - 01.01.2004
Extern publiziertJa

DOI

Zuletzt angesehen

Publikationen

  1. Key criteria for developing ecosystem service indicators to inform decision making
  2. Going beyond certificates
  3. System versus Intention
  4. One step forward, two steps back
  5. Techno-economic assessment of non-sterile batch and continuous production of lactic acid from food waste
  6. Analysis of Dynamic Response of a Two Degrees of Freedom (2-DOF) Ball Bearing Nonlinear Model
  7. Practical Formalist
  8. Co-EM Support Vector learning
  9. Estimation of minimal data sets sizes for machine learning predictions in digital mental health interventions
  10. Organizing Half-Things: Knowing, Theorizing and Studying Atmospheres
  11. The differential effects of self-view in virtual meetings when speaking vs. listening
  12. Implementation of EU labour law directives by way of national collective agreements
  13. Timing and fragmentation of daily working hours arrangements and income inequality
  14. A web- And mobile-based intervention for comorbid, recurrent depression in patients with chronic back pain on sick leave (get.back)
  15. Desynchronization of the Public and the Private
  16. Temporal and thermodynamic irreversibility in production theory
  17. You Are Where You Eat: A Theoretical Perspective on Why Identity Matters in Local Food Groups
  18. X Machina and the World of Tomorrow
  19. Schreiben in der Sekundarstufe II
  20. Lernsoftware im Unterricht
  21. Comparison between UKF and EKF in Sensorless Synchronous Reluctance Motor Drives
  22. Leveling up? An inter-neighborhood experiment on parochialism and the efficiency of multi-level public goods provision
  23. Was gibt´s heute?
  24. The theory of socio-cultural evolution
  25. Ideological Foundations of Perceived Contract Breach Associated With Downsizing
  26. Linking socio-technical transition studies and organisational change management
  27. How selective are real wage cuts?
  28. Modernisierung und Partizipation
  29. From Claiming to Creating Value
  30. Towards greener and sustainable ionic liquids using naturally occurring and nature-inspired pyridinium structures
  31. Towards a Relational Materialism
  32. The representative turn in EU studies
  33. Optimising Patterns of Life Conduct
  34. Systematic distributions of interaction strengths across tree interaction networks yield positive diversity–productivity relationships
  35. “The whole is greater than the sum of its parts” – Exploring teachers’ technology readiness profiles and its relation to their emotional state during COVID-19 emergency remote teaching
  36. rudimentäre Schreibung
  37. Umweltrechtsschutz in China