Software

Java software

  • AM-MDI 1.2 – Applicability domain-Model Disturbance Index Tool | Manual | Download
  • Genetic Algorithm 1.4 – A QSAR model development tool | Manual | Download
  • Modified K-Medoids 1.2 – A Clustering Tool | Manual | Download
  • NanoProfiler 1.2 – Endpoint-dependent analogues identification software | Manual | Download
  • S-MLR 1.2 – A variable selection tool | Manual | Download
  • vWSP 1.2 – A Data Pre-Treatment Tool | Manual | Download

C++ software

KNIME nodes

  • LDM- and MLB-based descriptors calculation scripts | Manual | Download