Why should medicinal chemists use software?
What exactly is a medicinal chemist’s role today? Firstly, let’s define a medicinal chemist’s role – to design and synthesise…
Featured content
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…
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…
How can I predict binding affinity without a target protein structure?
Why traditional ligand-based QSAR methods have fallen short You might be sceptical about ligand-based QSAR approaches; many researchers are. We discussed why there has…
Share your science, not your secrets: How StarDrop 8 Supports Collaboration with external partners
The collaboration challenge: Where generic tools fall short Several collaboration platforms have been designed to support molecule design and optimisation.…
Looking beyond statistics: How do I determine whether a QSAR model will add value to my project?
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…
Enhanced ADME predictions : New and improved models in StarDrop 8
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…
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…
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…
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…
What information do I need to justify my drug discovery software renewal?
Justifying software renewal requires more than highlighting features; you need quantifiable ROI data that resonates with budget holders. Whether it’s…
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…
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…
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…
Leveraging structure-based and ligand-based techniques in drug discovery
In our recent article in Innovations in Pharmaceutical Technology, we explore the principles, techniques, and applications of structure-based and ligand-based…
Why should medicinal chemists use software?
What exactly is a medicinal chemist’s role today? Firstly, let’s define a medicinal chemist’s role – to design and synthesise…
Predicting selective herbicide activity with machine learning
The agrochemical industry is facing growing challenges around resistance, stringent regulations, and pressures to reduce the time and cost of…
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…
