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Automatic Generation of New Chemistry Ideas

Wednesday, 16 October 2013 15:11
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Edmund Champness

In this demo we take a look at how StarDrop's Nova plug-in module can be used to generate new compound ideas. Starting with three lead compounds you can see how it is possible to generate new ideas which are optimised to have a good balance of both target affinity and ADME properties. For an example of how the target affinity model was created, take a look at the Building a QSAR model demonstration.

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Last Updated on Thursday, 31 August 2017 09:22  
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