In Silico ADME Tools
The breath and predictive power of in silico ADME tools has increased rapidly during the last 10 years. The quality of many models is such that they can successfully influence decision making in drug discovery and development. In drug discovery they can influence decision related to synthesis of compounds and in development they can influence decisions to perform certain clinical trials or the design of the trial.
KeywordsPartial Little Square Plasma Protein Binding PBPK Model Metabolic Stability Compartmental Transit
Compartmental absorption and transit model
Physiologically based pharmacokinetic model
Partial least squares
Support vector machine
- Espié P, Tytgat D, Sargentini–Maier M-L et al (2009) Physiologically based pharmacokinetics (PBPK). Drug Metab Rev 41:391–407Google Scholar