Input

 

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

QSAR TOOLBOX

Input functionalities

 

Click the image for a larger view

 

 

Input single chemical and list of chemicals

 

Input _1_R

 

 

Query tool functionalities

 

Input _2_QT_R

 

 

Providing simulated metabolites

 

Input _3_SM_R