Drug Metabolism Toolbox

Database

Search 145 biotransformation reactions by:

  • reaction type
  • functional group
  • substrate

The database is primarily set up to provide interesting or instructional examples of the many and various different types of biotransformations encountered in drug metabolism.

It is not an exhaustive catalogue of the metabolism of each functional group or substrate.

Click the tab to search the database.

Allometric Scaling

If you have plasma clearance data from at least three species, this application will predict human  plasma clearance by allometric scaling.

The application generates a full report (abstract, introduction, methods, results, discussion) for you.

The scaling is based on the algorithm of Mahmood and Balian (1996) and the liver blood flow method of Ward and Smith (2004).

Click the tab to find out more and try the application.

Mass Calculator

This application will calculate the molecular mass, accurate to six decimal places, of a molecule based on it's empirical formula.

The mass calculated is the monoisotopic mass based on the most abundant naturally occuring isotope of each atom.

Click the tab to try it out.

Links

Useful links related to drug metabolism with a brief description about them.

Click the tab to go to the links page.

Books

Books related to drug metabolism, mass spectrometry, NMR, HPLC, toxicology and drug development

Click the tab to go to the books page.