eMolTox specifications


Unique identifier OMICS_27610
Name eMolTox
Interface Web user interface
Restrictions to use None
Output data A table of all potential active endpoints the query compound might have, together with the confidence of each prediction, and the structure of the most similar active compound in the database.
Computer skills Basic
Stability Stable
Maintained Yes


  • person_outline chemphy
  • person_outline Andreas Bender

Publication for eMolTox

eMolTox institution(s)
Shanghai Engineering Research Center for Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, China; Center for Molecular Informatics, Department of Chemistry, Lensfield Road, Cambridge, UK; IOTA Pharmaceuticals, St Johns Innovation Centre, Cowley Road, Cambridge, UK
eMolTox funding source(s)
Supported by National Key Research and Development Plan (2016YFA0501700), National Natural Science Foundation of China (Grants 21003048 and 21433004), Shanghai Natural Science Foundation (Grant 14ZR1411900) and China Scholarship Council.

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