Automatic Generation of New Compound Ideas
During this example we will consider three compounds from a lead series which we would like to try to evolve into a candidate. The compound has a good profile of ADME properties but insufficient inhibition of the target, the Serotonin transporter. In this example we will use StarDrop’s Nova module to generate new ideas for compounds to improve the potency while maintaining the balance of other properties.
Please note that the tutorial explores core features of StarDrop and the Nova and ADME QSAR modules. If you don’t have access to these modules and would like to arrange a free trial license, please email us at [email protected]
Please note that this video was recorded with an earlier version of StarDrop, so there may be small differences in appearance, however the process demonstrated is unchanged.
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With its comprehensive suite of integrated software, StarDrop™ delivers best-in-class in silico technologies within a highly visual and user-friendly interface. StarDrop™ enables a seamless flow from the latest data through predictive modelling to decision-making regarding the next round of synthesis and research, improving the speed, efficiency, and productivity of the drug optimisation and discovery process.