Hit list triage
In this example, Card View is applied to analyse the results from a kinase project in which a large screening…
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.
Clustering in Card View
This short video gives an introduction to the Clustering tool in StarDrop and how you can interact with the results…
Activity landscapes
This short video gives an introduction to the Activity Landscape analysis tool in StarDrop and how you can view and…
Working with stacks in StarDrop
This short video gives an introduction to working with stacks in StarDrop’s Card View.
Working with links in StarDrop
This short video gives an introduction to working with links in StarDrop’s Card View.
Working with cards in StarDrop
This short video gives an introduction to working with cards in StarDrop’s Card View.
Tools for arranging cards in StarDrop
This short video gives an introduction to the tools provided by StarDrop’s Card View that help you to arrange cards…
Data set filtering in StarDrop
This short video illustrates how to use the data set filtering tool within StarDrop to remove compounds with unwanted substructures…
Information rich SAR plots
This short video illustrates how to create information rich SAR plots, including pie charts, histograms, scatter plots, radar plots, etc.…
Addressing toxicity risk when designing and selecting compounds in early drug discovery
Summary In this article, ‘Addressing toxicity risk when designing and selecting compounds in early drug discovery‘, we discuss the application…
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…
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…
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…
Topological Polar Surface Area – Including S and P
In J. Med. Chem., 2000, 43 (20), pp 3714–3717, Ertl et al. propose the calculation of two polar surface area values, the first reports the PSA…
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…
HTS promiscuity alerts model
Screen for HTS promiscuity with StarDrop HTS Promiscuity Alerts.