Counting what counts: Structural descriptors in StarDrop
In medicinal chemistry, it’s often the little things, like the subtle changes in a molecule’s structure, that make the difference.…
Real-time collaboration for molecule design: Why medicinal chemists need more than just shared documents
Imagine if everyone on your team could stay in sync with the latest compounds and data, working with the same…
Optibrium Delivers Real-Time Collaboration in its Comprehensive Molecular Design Platform with StarDrop 8
Latest release accelerates hit-to-candidate progression by keeping teams aligned, eliminating inefficiencies and enabling better prioritisation decisions CAMBRIDGE, UK, 04 November…
Pushing the limits of QSAR modelling
Probably the most common use of machine learning (ML) in drug discovery is QSAR modelling, where we predict the properties…
Improving predictions of molecular properties with graph featurisation and heterogeneous ensemble models
Abstract We explore a “best-of-both” approach to modelling molecular properties by combining learned molecular descriptors from a graph neural network…
What training and support can I expect as a StarDrop customer?
Set up for success with hands-on training sessions We start with dedicated training sessions where you and your team get…
How does your feedback shape new StarDrop features?
In the fast-paced world of drug discovery, your time is precious. You’re under pressure to design better compounds, do it…
Why does conformational flexibility matter in drug design?
What are conformational ensembles? A conformational ensemble is a collection of the different 3D shapes a molecule can adopt in…
Desktop vs cloud-based StarDrop: Which deployment option is right for me?
Desktop StarDrop Desktop StarDrop runs directly on your local Windows or Mac systems, operating within your existing IT infrastructure. For…
How do I assess similarities between molecules?
What is the similarity principle? The similarity principle is one of the key concepts in drug design. It implies that…
Optibrium partners with TalTech on EU-funded PhD programme to advance sustainable drug discovery
The research will focus on developing faster and more accurate methods for predicting drug metabolism. CAMBRIDGE, UK, 02 July 2025…
How can I predict toxicity in drug discovery?
The importance of predicting toxicity early in drug development Highlighting safety and toxicity early in the drug development process is…
Why don’t my QSAR models work?
Why QSAR models matter in drug discovery Before we start troubleshooting, let’s remember why we build and run these models…
AI is not magic: A scientist’s guide to cutting through the hype
Ground truth matters more than algorithm hype In drug discovery, we deal in imperfect data. Assays are noisy. Endpoints are…
Does AI remove bias in drug discovery?
Like all humans, drug discovery scientists suffer from inherent biases that influence our decision making. Our intuition can sometimes be…
Open-source drug discovery software: It’s free, right?
When are open-source drug discovery solutions a good fit? We should first clarify that when we’re speaking about open-source tools,…
Machine Learning 101: How to optimise hyperparameters
What are parameters in machine learning models? The regular (non-hyper) parameters of an ML model are the numbers that it…
StarDrop vs LiveDesign: Finding the right collaboration platform for your medicinal chemistry team
The launch of StarDrop 8 adds powerful real-time collaboration to our medicinal chemistry toolkit for molecule design, optimisation and data…
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…
