1. Input single chemical, list of chemicals, inventories and databases.


2. Quality assessment (QA) of chemical structures.


3. Searching chemicals by Chemical ID identifiers.


4. Sub-fragment searching of chemicals using common fragments definitions.


5. Query Tool functionality for complex searching in databases.


6. Providing for a chemical:
     a. Simulated abiotic or biotic metabolism
     b. Observed metabolism
     c. Simulated tautomers






Supporting materials


Getting Started (pages 6-8)                      pdf


Getting Started Quick Reference              pdf


Input functionalities


Click the image for a larger view



Input single chemical and list of chemicals


Query tool functionalities




Providing simulated metabolites