Reymond Research Group

University of Bern


Web-based Tools

Target prediction

  • PPB a polypharmacology browser for target prediction in ChEMBL
  • PPB2 version 2.0 of PPB, including machine learning (deep neural networks, naïve Bayes, kNN as well as a combination of kNN and naïve Bayes)

Chemistry

Visualization

  • Faerun for an Interactive 3D-Visualization of SureChEMBL in the web browser, also available as a Python package
  • webDrugCS for an Interactive 3D-Visualization of DrugBank chemical space in the web browser
  • webMolCs for an Interactive 3D-Visualization of custom chemical spaces in the web browser
  • PDB-Explorer for interactive visualization and similarity search of the RSCB Protein Databank in shape space

Database Similarity Search

Downloadable Tools

Virtual Reality

Mapplets

Source Code