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Welcome to Structure Search in the 127,000 3D Structure NCI Database.
1. Paste a structure file
You need to paste your structure file in the 'Prepare query HERE' box.
2. Search the Structure database
Click on the red button in the ‘Submit’, and the SMILES will appear in the box..
Click on the button with an arrow. View the search results:
NSC and CAS number in the lower frame window.
3. Search the 127,000 3D Structure NCI Database.
Copy the CAS number or the name by using the ‘copy’ function in the ‘edit’ menu of your browser,
and paste it in the query box on the 127,000 3D structures page.
To perform this search you need to be a register user. For registration please fill out our form.
We will respond with your login name and password.