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ChemAxon LLC
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Image Search Results
Journal: Current topics in medicinal chemistry
Article Title: Tuning hERG out: Antitarget QSAR Models for Drug Development
doi:
Figure Lengend Snippet: Summarized statistical characteristics of QSAR models for hERG liability assessed by 5-fold external cross-validation for the modeling set at the threshold level of 10 μM.
Article Snippet: Thus, the consensus model was built by combining the SVM model with
Techniques:
Journal: Current topics in medicinal chemistry
Article Title: Tuning hERG out: Antitarget QSAR Models for Drug Development
doi:
Figure Lengend Snippet: Statistical results of some QSAR models for hERG liability for the external test set at the threshold level of 10 μM.
Article Snippet: Thus, the consensus model was built by combining the SVM model with
Techniques:
Journal: Current topics in medicinal chemistry
Article Title: Tuning hERG out: Antitarget QSAR Models for Drug Development
doi:
Figure Lengend Snippet: QSAR studies published for predicting hERG blockage.
Article Snippet: Thus, the consensus model was built by combining the SVM model with MACCS fingerprints (MACCS-SVM), the Tree Bagging method with PubChem Fingerprints (PubChem-TreeBag), the RF model with the
Techniques: Inhibition, Patch Clamp, Selection, High Throughput Screening Assay, ParaSurf, In Vitro