COMPUTATIONAL METABOLISM
 
There is a great need to be able to predict the metabolites formed by new chemicals, especially pharmaceuticals in calculo. The same general principles used in computational toxicology are also applied to the metabolism problem.

Metabolism prediction systems can be used to classify new chemicals as to which enzymes catalyze them, as well as calculate the rate of catalysis for various transformations. Applications range from individual chemical studies to HTS situations.
Database
Toxicity
Metabolism
Other QSAR
 
 
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