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      • hERG toxicity prediction in early drug discovery using extreme gradient boosting and isometric stratified ensemble mapping
      • ADME prediction with KNIME: A retrospective contribution to the second “Solubility Challenge”
      • ADME prediction with KNIME: In silico aqueous solubility consensus model based on supervised recursive random forest approaches
      • A Novel Automated Framework for QSAR Modeling of Highly Imbalanced Leishmania High-Throughput Screening Data
      • ADME Prediction with KNIME: Development and Validation of a Publicly Available Workflow for the Prediction of Human Oral Bioavailability
    • PUBLICATIONS
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  • ABOUT
  • PRODUCTS
    • EYEMOL
      • EYEMOL-TUTORIAL
    • PIMAPS
  • SERVICES
    • CONSULTANCY
    • TRAINING
    • DEVELOPMENT
  • SCIENTIFIC ACTIVITY
    • CURRENT PROJECTS
    • EVENTS
    • RECENTLY PUBLISHED PAPERS
      • hERG toxicity prediction in early drug discovery using extreme gradient boosting and isometric stratified ensemble mapping
      • ADME prediction with KNIME: A retrospective contribution to the second “Solubility Challenge”
      • ADME prediction with KNIME: In silico aqueous solubility consensus model based on supervised recursive random forest approaches
      • A Novel Automated Framework for QSAR Modeling of Highly Imbalanced Leishmania High-Throughput Screening Data
      • ADME Prediction with KNIME: Development and Validation of a Publicly Available Workflow for the Prediction of Human Oral Bioavailability
    • PUBLICATIONS
  • CONTACT

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