ChemGPS-NP Web
- A tool tuned for navigation in biologically relevant chemical space
ChemGPS-NP

Instructions for using the ChemGPS-NP web tool:

Upload and submit a correct SMILES-file with a maximum of 8000 compounds (any IDs should sit to the right of the smiles string) using the buttons Browse... and Send File. You can alternatively paste your SMILES in the Process data drop box and submit by clicking Send Data. Switch between these two submit modes by clicking on the switch link next to the up/down arrow.

To obtain the resulting ChemGPS-NP 8D coordinates go to View results in the left menu and view the results by clicking the link or download a zipped text file by clicking on the blue arrow. The coordinates can then be plotted using preferred software.