R-group analysis
This example looks at R-group analysis of chemical series to identify key functionalities which influence potency.
From similarity to SAR
In this webinar, we present a flexible and intuitive framework in which similarity relationships can be interactively navigated to quickly interpret the results, identify important structure-activity relationships (SAR) and use that SAR in new compound design.
Multi-parameter optimisation in practice
This webinar describes example applications of multi-parameter optimisation to find high-quality lead compounds.
A novel scoring profile for the design of antibacterials active against gram-negative bacteria
Introduction The increasing occurrence of multidrug-resistant bacteria is one of the major global threats to human health. Design of new…
R-group decomposition
StarDrop’s R-group analysis makes it quick and easy to explore the variation of properties by the substituents within a chemical series. This…
ForceGen 3D structure and conformer generation: from small lead-like molecules to macrocyclic drugs
We introduce the ForceGen method for 3D structure generation and conformer elaboration of drug-like small molecules.
Practical applications of matched series analysis
This paper, co-authored with our colleagues at NextMove Software, explores applications of Matched Series Analysis within StarDrop’s Nova module to…
Matched Series for SAR Analysis
Try Matched Series Analysis in this follow-along tutorial
Extrapolative prediction using physically-based QSAR
Surflex-QMOD integrates chemical structure and activity data to produce physically-realistic models for binding affinity prediction.
R-group matched pairs
This short video illustrates how to perform Matched Molecular Pair Analysis (MMPA) within a chemical series using StarDrop’s R-group analysis tool. This…
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…
Breaking free from chemical spreadsheets
This article explores the benefits of a more intuitive and flexible approach to viewing and interacting with drug discovery data,…
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…
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…
