This is an online server to visualize the chemical space and compute the molecular diversity of your data sets. You only need a comma (,) delimited file with the SMILES of all your compounds, the name of your data sets and an ID for each compound.
You can download the User Guide, an example of an input file and template here.
If you have questions or suggestions, please send an email to:
Mariana Gonzalez-Medina email@example.com
Jose L. Medina-Franco firstname.lastname@example.orgThe non-shiny scripts are available upon request.
UNAM: PAPIME PE200116; PAIP 5000-9163