- Reducing lines
- Skip the line as many times as you want and reduce the line. It may be useful for plotting the simulated results, which have too many lines to handle for the plotting software such as GraphPad Prism.
- Python version is available, here. 180521_reduce_line.py
- Finding SMILES codes for the many chemicals
- SMILES is a string code for a chemical formula, and drawing chemical structure may be available using the code.
- Finding logP and logD
- Finding the predicted logP and logD from Chemspider.
- Calculating Root Mean Squared Logarithmic Error (RMSLE) between observed and simulated concentration-time profiles
- RMSLE shows a log-difference between two-data.
- An example of the physiologically-based pharmacokinetic model
- You can search the physicochemical properties from several compound databases, and incorporate them into the PBPK model sample.
- You can also change each parameter value mannually.
- Tissue-to-plasma partition coefficient predictor