How does StarDrop compare to LiveDesign?
No glove fits every hand perfectly—and it’s the same with software tools. There’s no one-size-fits-all solution when it comes to…
Will AI replace chemists?
ChatGPT can be great for the basics, but cannot replace expert human knowledge I’m going to quickly discount the most…
How can categorical models provide value in supporting compound prioritisation?
Introduction In early-stage drug discovery, medicinal chemists rely on predictive models to help guide which compounds to synthesise or test…
Test and Prove the Value of AI in Drug Discovery
Defining value is the best place to start Before diving into the specifics of testing AI’s value, the first step…
Maximising the ROI of AI – A comprehensive evaluation of Cerella for drug discovery success
When evaluating any new technology, it is important to establish how you will validate whether it will deliver a return…
How is AI transforming drug discovery chemistry?
Imagine you’re trying to find the correct key to unlock a treasure box, but there are billions of keys to…
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…
How can I run a successful virtual screen?
Virtual screening is often powerful because it is fast (i.e., cheap) and can give new insights into your project much…
Machine learning 101: How to build your first neural network
What are neural networks? Neural networks (NNs) in various forms are very common nowadays, and specific architectures are used for…
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 do AI drug discovery platforms cost?
Which AI platform do you need? The first thing you’ll need to do is decide what you need to achieve…
How should I prepare and store my data for cheminformatics applications?
Structuring your cheminformatics data First, the easiest format to work with is a simple table of data, where each row…
Data integration in AI-guided drug discovery
Benefits of continuous integration to use up-to-date data in model building Cerella has the ability to work with and learn…
What other software does StarDrop integrate with?
StarDrop — A Swiss Army knife for drug discovery It’s designed to fit right in with the other tools you…
Data integration in drug discovery software
At a very basic level, this means that StarDrop supports loading data from many different standard file formats (SDF, MOL2,…
Mastering multi-parameter optimisation
Develop advanced MPO strategies and target the right compounds, faster.
We’re diving back into our favourite subject: multi-parameter optimisation.
How can I make the most of my predictive models for drug discovery?
What’s the purpose of a predictive model? What’s the value of predictive models for drug discovery? Most of the undergraduate…
