Derek Nexus for toxicity prediction – What package is right for me?
What is Derek Nexus? Developed by Lhasa Limited, Derek Nexus is an expert-knowledge based system that draws on over 40…
Which ADMET properties are important for me to predict?
How can I predict my compound’s absorption? The first of the ADMET properties relate to absorption. Understanding how a drug…
How much does drug discovery software cost?
How number of users affect drug discovery software costs The number of people who need access to the platform is…
What is the difference between ‘Inactive’ and ‘No alert’?
Each prediction takes the form of a structural alert, identifying the structural feature which gives rise to the predicted risk…
How do I check which version of the Derek Nexus knowledgebase I am using?
The Derek Nexus knowledgebase version is displayed in a tooltip when you hover over an endpoint prediction. The tooltip also…
Addressing toxicity risk in multi-parameter optimisation
In this example we will illustrate how knowledge-based predictions of toxicity can be used within a MPO environment to guide the selection and design of compounds with a good balance of properties and reduced risk of toxicity.
Addressing toxicity risk when designing and selecting compounds in early drug discovery
Summary In this article, ‘Addressing toxicity risk when designing and selecting compounds in early drug discovery‘, we discuss the application…
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…
