Guiding Selection and Design in Hit-to-Lead
The objective in this example is to identify one or more high quality chemistries for progression to detailed in vitro and in vivo studies, based on initial screening data for potency; ideally the compounds chosen for progression should not only be potent, but also have appropriate ADME properties to result in a high quality lead series. We will also use StarDrop to explore potential modification of one of the existing compounds to improve its properties.
Please note that the tutorial explores core features of StarDrop and the ADME QSAR module. If you don’t have access to this module and would like to arrange a free trial license, please email us at firstname.lastname@example.org
This video was recorded with the latest version of StarDrop. If you are going through this tutorial yourself with an older version of StarDrop, the results will appear slightly differently, due to changes in the underlying knowledgebase. Therefore, if you would like an older version of the PDF instructions to match your StarDrop version, please contact email@example.com.
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.