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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
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ABOUT
PRODUCTS
SCREENING LIBRARIES
SOFTWARE
EYEMOL
EYEMOL-TUTORIAL
PIMAPS
SERVICES
CONSULTANCY
TRAINING
DEVELOPMENT
SCIENTIFIC ACTIVITY
PARTICIPATION TO EVENTS
LATEST PUBLICATIONS
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
PREVIOUS PUBLICATIONS
CONTACT
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