Advanced chart formatting in StarDrop
Here we’ll show how to tailor the format scales in your charts to highlight the property ranges in which you’re…
Flavour and fragrance models: Kovats indices
Odour type is an important property for the flavour industry. It has been observed that compounds with a similar volatility…
Copy and paste from StarDrop
This short video illustrates how to you can simply copy selected compound identifiers, structures and any data directly from StarDrop…
Flavour and fragrance models: skin absorption modelling
Fragrance materials are widely used in cosmetics and other consumer products. The safety assessment of these ingredients includes skin absorption…
Introduction to matched series analysis
This short movie gives an introduction to StarDrop’s Matched Series Analysis which is part of the Nova module which searches databases of…
Matched molecular pair analysis
This short video gives an introduction to the Matched Molecular Pair Analysis tool in StarDrop and how you can interact…
Activity neighbourhoods
This short video gives an introduction to the Activity Neighbourhood analysis tool in StarDrop’s Card View.
Human volume of distribution models
The volume of distribution (VDss) is an in vivo pharmacokinetic parameter representing the hypothetical volume into which the dose of drug would…
Shen BBB models
Blood-brain barrier (BBB) penetration is a measure of the ratio between the compound concentration in brain and blood. Good BBB…
P-gp Transporter models
P-glycoprotein (P-gp) is an ATP driven efflux pump encoded by the MDR1 gene, capable of transporting a wide spectrum of…
Caco-2 Model
Accelerate drug development with Caco-2 Model. Predict intestinal permeability for better absorption. Download now for improved pharmacokinetic predictions.
Number of aromatic rings
Improve compound characterisation with StarDrop’s Number of Aromatic Rings tool. Download now for precise ring counting and structural analysis
Introduction to the Metabolism module
The Metabolism module enables you to accurately predict the major metabolic routes, sites, products and lability of Phase I and…
AutoDock Models for the StarDrop Pose Generation Interface (PGI)
From the manuscript “DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design”, Miguel García-Ortegón, Sergio Bacallado, et al¹ have developed…
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.
3D virtual screening with Surflex eSim3D
When exploring chemistry space around a known hit or lead, you can use 3D virtual screening to identify new compounds…
Quantitative estimate of Drug-likeness in StarDrop
In the article, Bickerton et al. (2012) “The Chemical Beauty of Drugs” Nature Chemistry 4, 90–98, the authors proposed a measure of ‘drug-likeness’, the Quantitative…
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…
Guiding selection and design in hit-to-lead
The objective in this example is to identify one or more high quality chemistries for progression to detailed in vitro…
