Predicting reactivity to drug metabolism: beyond CYPs
Introduction Predicting sites of metabolism (SoM) enable chemists to be more efficient in optimising the structure of new chemical entities…
Go to the Nova tab and select Transformations
Click on Transformations, this will open a manager
Then select Import, add a New Group or Sketch your own Transformations in the Manager.
To add your own Transformations, reactions and/or R-fragments, please also see section 27.2 of the User guide. If you need more information, contact us at support@optibrium.com.
More predictive modelling resources
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In this webinar, we demonstrate how Augmented Chemistry®, a unique deep learning method, can learn from higher throughput data together with limited panel data to provide high-quality imputations for sensory properties.
Matched Series for SAR Analysis
Try Matched Series Analysis in this follow-along tutorial
