AKos
Consulting & Solutions GmbH
Home Company Info Impressum Contact Email

a chemoinformatics company
 
Up

Accelrys Metabolite

 Accelrys Metabolite is the world’s most comprehensive collection of xenobiotic compounds and biotransformations (primarily medicinal drugs). The database indexes path and scheme information and experimental data from in vivo and in vitro studies compiled from primary literature, conference proceedings, and New Drug Applications.

Isentris offers a graphical interface for searching and displaying metabolic schemes stored in either the Metabolite Database or corporate databases. You can explore metabolic outcomes of known compounds studied in living systems (human, animal, tissue, tissue extracts, and cellular studies) and discover shared metabolic pathways of structurally related systems.

Accelrys Metabolite can be used in conjunction with Accelrys Toxicity. A single click enables structure browsing in either database to transfer and view relevant toxicity and biotransformation data.
AKos Consulting & Solutions Deutschland GmbH (AKos GmbH)
Telephone
+49 7627 970068
Fax
+49 7627 970067
Fax to Mail
+49 1805 744743 8318
Austr. 26
79585 Steinen
Germany
E-Mail
for software:
Coverage:
1901-present; updated semiannually

Focus:
Xenobiotic compounds and biotransformations (primarily medicinal drugs); indexing of path and scheme information; experimental data from in vivo and in vitro studies

Sources:
Biotransformations of Drugs (1977-1983)
Pharmacokinetics (1986-1990)
Original metabolism literature and new drug applications (1990-present)
Proceedings from International Society for the Study of Xenobiotics (ISSX) meetings

Size:
about 20'000 parent compounds,100'000 transformations, 50'000 molecules

 

 Transformation and Scheme



 
Would you like to be contacted?
 

 

Metabolic Scheme
Toxicity Database includes the complete contents of the Registry of Toxic Effects of Chemical Substances database (US Centers for Disease Control and Prevention), the GENE-TOX database (US Environmental Protection Agency) and the Chemical Carcinogenesis Research Information System database (National Cancer Institute).

 

Toxicity Database can be used in conjunction with Accelrys Metabolite Database. A single click enables structure browsing in either database to transfer and view relevant toxicity and biotransformation data.

 

Quick link to Toxicity


link to Toxicology database on the AKos GmbHh homepage.

link to Toxicology database on the Accelrys homepage:
 

Last Updated May 15, 2011

Here is screen shot showing the metabolic pathway in ISIS. 

Metabolite is also offered under DiscoveryGate. The user needs to modify the standard result screens in order to get meaningful displays from the Metabolite. Please ask for details.

Up