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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People also ask
What is QSAR used for?
What software is used in 3D QSAR?
Apr 19, 2024 · Step 2: Assign cluster members to existing cluster heads ... 3 Molecule Property Prediction using built models ... STEP 4 - Open the Floe Report to ...
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Feb 14, 2024 · The 3D QSAR Model: Validation Floe is a tool for performing validation of a model against an external dataset. The model validation floe ...
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ROCS is a powerful virtual screening tool which can rapidly identify potentially active compounds by shape comparison.
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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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www.3D-QSAR.com allows anyone to build 3D QSAR models using a simple and intuitive web interface.
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OpenEye resources for scientists and developers working in drug discovery. Review the latest webinars, white papers and videos from OpenEye Scientific.
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