This page contains questions from the ZINC session and the responses provided.
What things are important to consider when using ZINC to order compounds and libraries?
- Remember to not trust your data, there are errors in every database!
- Be careful and check the quality of compounds
- Good vendors can provide spectra to show the quality (this might have an associated cost)
- This can take lots of time, so be aware of your timeframe
- Cheap libraries might not be great quality
Can ZINC provide a list of suppliers for each compound?
- Yes, they are listed alphabetically, so no weighting of which suppliers provide a better service/product
Does SEA store any search information?
- Yes, just like Google does
- For privacy concerns you can buy the software and run it locally
- SEA - Limited by IP address to 40x a day, free to use in single cases
- For High-Throughput Screening, it is best to purchase a license
If you have 30-50 compounds to test at once, can SEA tell you which pathways you are hitting?
- No, but it will tell you the target you are hitting
- Compounds need to be in ChEMBL for SEA to actually return something
- Natural compounds will return null hits as they are not well defined in chemical space