The OpenEye's 3D-QSAR creates models and predictions for potency or binding affinity based on descriptors from 3D conformers of molecules.
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Molecular modeling and cheminformatics software tools built in the cloud to accelerate lead discovery and optimization in drug development.
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Step 2: Assign cluster members to existing cluster heads · Sphere Exclusion Radius · Troubleshooting · Floe Runtime is Too High · Floe Cost is Too High · Memory ...
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The 3D QSAR Model: Interpretation Floe is a tool for interpreting kernel-PLS models. The model interpretation floe requires a dataset of a model obtained from ...
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Step 2: Assign cluster members to existing cluster heads · Sphere Exclusion ... 3 Molecule Property Prediction using built models · Tutorial: Building ...
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The Toolbox is a free software application that supports reproducible and transparent chemical hazard assessment. It offers functionalities for retrieving ...
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The 3D QSAR Model: Validation Floe is a tool for performing validation of a model against an external dataset. The model validation floe requires two datasets: ...
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www.3D-QSAR.com allows anyone to build 3D QSAR models using a simple and intuitive web interface.
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