Finding the rules for successful drug optimisation
Summary In this drug optimisation article, co-authored with Pfizer we discuss new ‘rule induction’ methods. These explore complex data to…
In this demo we’re going to take a look at how StarDrop can guide the prioritisation and selections of compounds using a combination of in vitro and in silico data. Using StarDrop’s probabilistic scoring, data visualisation and selection tools you can see how we can select a diverse set of compounds with balanced properties and visualise this within a chemical space visualisation. The predictive models used in this demo are part of the ADME QSAR module.
More MPO resources
Virtual screening: Challenges, considerations and approaches for successful screens
Virtual screening presents a host of challenges, especially where little or no structural information on targets is available. So how can we best set our screening strategies up for success?
Matched Series for SAR Analysis
Try Matched Series Analysis in this follow-along tutorial
