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Multi-Parameter Optimisation of 3D SAR

Wednesday, 16 October 2013 21:02
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Edmund Champness

In this example we will explore the multi-parameter optimisation of a series of CDK2 inhibitors, combining a 3D insight into the structure-activity-relationship (SAR) gained from StarDrop’s torch3D™ module and predictions of ADME and physicochemical properties, using StarDrop’s unique Probabilistic Scoring approach.

To try this example yourself, please visit the Tutorials section of the Community. If you don't have access to StarDrop or the optional modules and would like to arrange a free trial license, please email us at

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Last Updated on Thursday, 11 January 2018 16:04