Redesign to reduce drug toxicity risk
In this demo we look at how it’s possible to use the Derek Nexus module with StarDrop to guide the design of…
Comparing chemical series with probabilistic scoring in StarDrop
This example is taken from a project in which screening of a diverse library resulted in hits from multiple chemistries.…
Preprint: considering the impact of ‘drug-like’ properties on the chance of success
Summary There are many different definitions of ‘drug-like’, with rules proposed based on property trends seen in successful drugs. In…
Applying med chem transformations and multi-parameter optimisation
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…
Multi-parameter optimisation review article
In this multi-parameter optimisation review, we survey the range of methods used for MPO in drug discovery, compare their strengths…
Making priors a priority
Summary This article discusses a critical issue that the community needs to address address in order to use the predictive…