Preprint: considering the impact of ‘drug-like’ properties on the chance of success
Summary There are many different definitions of ‘drug-like’, with rules proposed based on property trends seen in successful drugs. In…
Applying med chem transformations and multi-parameter optimisation
Summary This article on applying med chem transformations and multi-parameter optimisation describes the concepts and algorithms underlying StarDrop’s Nova module. We’ve developed…
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…
Overcoming psychological barriers to good discovery decisions
Summary This article explores the psychological barriers and risks of cognitive biases to R&D decision-making. It contrasts current practice with…
Gaussian processes for classification: QSAR modeling of ADMET and target activity
Summary In this study, the researchers look to solve classification quantitative structure−activity relationship (QSAR) modelling problems using Gaussian processes. They…
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)…
Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility
Summary In this study, our researchers combined an automatic model generation process for building QSAR models with the Gaussian Processes…
Gaussian processes for classification
In this article, Olga describes how we extend the application of Gaussian Processes technique to classification problems. These computational techniques…
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…
Number of carbons
These two models calculates the number of sp3 carbons and the total number of carbons compound. These are available to…
Activity landscapes
This short video gives an introduction to the Activity Landscape analysis tool in StarDrop and how you can view and…
Comparing chemical series with probabilistic scoring in StarDrop
This example is taken from a project in which screening of a diverse library resulted in hits from multiple chemistries.…
Formatting your chart in StarDrop
This video demonstrates how to format your charts, using the properties in your data set, by colour, size, symbol, transparency.
Interacting with your chart in StarDrop
In this quick video, we show the many ways you can interact with your chart to show exactly the data…
Creating a dashboard in StarDrop
In this video, we’ll see how to create a ‘dashboard’ containing multiple interactive charts, giving an instant overview of your…
Editing chart axes and title in StarDrop
Watch this video to see how you can edit the title of your chart and its axes, to precisely define…
Annotating your chart in StarDrop
You can add labels to your charts showing structure and data for key compounds or display your comments. Watch this…
Customising your chart In StarDrop
To see some of the many ways you can customise your chart, by setting fonts and colours or adding grids…
Copying or printing your charts
In this video we show how easy it is to copy your charts directly into your presentations and reports or…
