Main content

eToxPred

  1
Contributors:

Date created: | Last Updated:

: DOI | ARK

Creating DOI. Please wait...

Create DOI

Category: Project

Description: Datasets, benchmarks, and other files for eToxPred

Wiki

Benchmarking and testing datasets:

  • fda_approved_nr.smi - 1515 FDA-approved drugs obtained from DrugBank.
  • toxnet_nr.smi - 3035 toxic molecules obtained from HSDB.
  • kegg_nr.smi - 3682 drugs obtained from KEGG Drug.
  • t3db_nr.smi - 1283 toxic molecules obtained from T3DB.
  • dude_actives_nr.smi - 17499 bioactive molecules obtained from DUD-E.
  • nat_nubbe_nr.smi - 1008 natural products obtained from NuBBE.
  • n…

Files

Files can now be accessed and managed under the Files tab.

Citation

Recent Activity

Unable to retrieve logs at this time. Please refresh the page or contact support@osf.io if the problem persists.

OSF does not support the use of Internet Explorer. For optimal performance, please switch to another browser.
Accept
This website relies on cookies to help provide a better user experience. By clicking Accept or continuing to use the site, you agree. For more information, see our Privacy Policy and information on cookie use.
Accept
×

Start managing your projects on the OSF today.

Free and easy to use, the Open Science Framework supports the entire research lifecycle: planning, execution, reporting, archiving, and discovery.

Copyright © 2011-2025 Center for Open Science | Terms of Use | Privacy Policy | Status | API
TOP Guidelines | Reproducibility Project: Psychology | Reproducibility Project: Cancer Biology