Multi-parameter optimisation in practice
This webinar describes example applications of multi-parameter optimisation to find high-quality lead compounds.
There are many different definitions of ‘drug-like’, with rules proposed based on property trends seen in successful drugs. In the paper we review the strengths and weaknesses of these different definitions of ‘drug-like’ properties and measures of ‘drug-likeness.’ We propose an alternative metric the Relative Drug Likelihood (RDL) that identifies the properties with the greatest impact on a compound’s likelihood of success for a drug discovery objective.
I. Yusof, M. D. Segall, Drug Discovery Today, 2013, 18(13-14), 659-666
DOI: 10.1016/j.drudis.2013.02.008
To help you get a quantitative estimate of drug-likeness (based off the Bickerton et al. 2012 article), check out the StarDrop download, available to support your projects now.
This webinar describes example applications of multi-parameter optimisation to find high-quality lead compounds.
Try Matched Series Analysis in this follow-along tutorial
In this example, we will use the Sensitivity Analysis tool in StarDrop’s MPO Explorer module to check if the ranking of compounds in a data set is sensitive to any of the criteria or importance values in a scoring profile.