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
Models for success: improving drug metabolism prediction
Out now in Drug Target Review, Optibrium’s Director of Computational Chemistry, Dr Peter Hunt discusses why early in silico metabolism prediction is crucial…
Making priors a priority
Summary This article discusses a critical issue that the community needs to address address in order to use the predictive…
ADMET property prediction: The state of the art and current challenges
Summary This article discusses Quantitative Structure – Activity relationships (QSAR) methods to predict absorption, distribution, metabolism, excretion and toxicity (ADMET)…
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…
Multi-parameter optimisation review article
In this multi-parameter optimisation review, we survey the range of methods used for MPO in drug discovery, compare their strengths…
Beyond profiling: using ADMET models to guide decisions
Summary The main use of ADMET models, whether in silico or in vitro,tends to be molecule ‘profiling’; identifying compounds which are expected to…
Gaussian processes for classification
In this article, Olga describes how we extend the application of Gaussian Processes technique to classification problems. These computational techniques…