Matched Series for SAR Analysis
Try Matched Series Analysis in this follow-along tutorial
Try Matched Series Analysis in this follow-along tutorial
This peer-reviewed paper discusses the challenges of using uncertain experimental data to make confident decisions on the selection of compounds.…
Summary This review article discusses recent developments in the methods and opinions around multi-parameter optimisation, focusing on applications to de novo drug…
Summary In this drug optimisation article, co-authored with Pfizer we discuss new ‘rule induction’ methods. These explore complex data to…
Summary In this article, ‘Addressing toxicity risk when designing and selecting compounds in early drug discovery‘, we discuss the application…
The objective in this example is to identify one or more high quality chemistries for progression to detailed in vitro…
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.
In this demo we look at how it’s possible to use the Derek Nexus module with StarDrop to guide the design of…
This example is taken from a project in which screening of a diverse library resulted in hits from multiple chemistries.…
Summary There are many different definitions of ‘drug-like’, with rules proposed based on property trends seen in successful drugs. In…
Summary This article on applying med chem transformations and multi-parameter optimisation describes the concepts and algorithms underlying StarDrop’s Nova module. We’ve developed…
In this multi-parameter optimisation review, we survey the range of methods used for MPO in drug discovery, compare their strengths…
Summary This article discusses a critical issue that the community needs to address address in order to use the predictive…