Several products of ChemAxon need some files which contain important data for the usage. These files might contain a reaction library, molecules or specific configuration settings.
- Standardizer configuration file for the transfomation of mesomeric groups to canonical forms: download
Reaction library (Reactor)
- ChemAxon’s systematically collected new reaction library for Reactor containing generic virtual reactions with synthetic relevance: download
Biotransformation library (Metabolizer)
- CYP450 xenobiotic biotransformation library for Metabolizer is under development.
- Download the Demo version of the CYP450 xenobiotic biotransformation library and test Metabolizer. The library contains 12 reactions and the confirmed biotransformation of a cannabinol type substrate (find attached in biotransformation library as substrate.mrv).
Pharmacophore configuration file (JKlustor, Screen)
- Calculation based pharmacophore definition for pmapper and JKlustor (by generatemd): download