The collaboration challenge: Where generic tools fall short Several collaboration platforms have been designed to support molecule design and optimisation.…
Good statistics don’t guarantee good applicability. Performance metrics will tell you how well a QSAR model predicts known data, but they don’t tell you whether it will add practical value…
All models are available in StarDrop’s ADME QSAR module: pKa– Most acidic pKa– Most basic pKa– All pKa valueslogP (Octanol/Water)logD7.4 (Octanol/buffer…
In medicinal chemistry, it’s often the little things, like the subtle changes in a molecule’s structure, that make the difference.…
Imagine if everyone on your team could stay in sync with the latest compounds and data, working with the same…
Latest release accelerates hit-to-candidate progression by keeping teams aligned, eliminating inefficiencies and enabling better prioritisation decisions CAMBRIDGE, UK, 04 November…
Probably the most common use of machine learning (ML) in drug discovery is QSAR modelling, where we predict the properties…
Abstract We explore a “best-of-both” approach to modelling molecular properties by combining learned molecular descriptors from a graph neural network…
Set up for success with hands-on training sessions We start with dedicated training sessions where you and your team get…
In the fast-paced world of drug discovery, your time is precious. You’re under pressure to design better compounds, do it…
What are conformational ensembles? A conformational ensemble is a collection of the different 3D shapes a molecule can adopt in…
Desktop StarDrop Desktop StarDrop runs directly on your local Windows or Mac systems, operating within your existing IT infrastructure. For…
What is the similarity principle? The similarity principle is one of the key concepts in drug design. It implies that…
The research will focus on developing faster and more accurate methods for predicting drug metabolism. CAMBRIDGE, UK, 02 July 2025…
The importance of predicting toxicity early in drug development Highlighting safety and toxicity early in the drug development process is…
Why QSAR models matter in drug discovery Before we start troubleshooting, let’s remember why we build and run these models…
Ground truth matters more than algorithm hype In drug discovery, we deal in imperfect data. Assays are noisy. Endpoints are…
Like all humans, drug discovery scientists suffer from inherent biases that influence our decision making. Our intuition can sometimes be…
