This paper describes the prediction of the regioselectivity of metabolism by AOs, FMOs and UGTs for humans and CYPs for three preclinical species.
Explore ways to use the Inspyra Panel, in combination with Matched Series Analysis (MSA).
This short video gives an introduction to the Matched Pairs Neighbourhood tool in StarDrop’s Card View. If you are interested…
This example looks at R-group analysis of chemical series to identify key functionalities which influence potency.
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.
This webinar describes example applications of multi-parameter optimisation to find high-quality lead compounds.
Introduction The increasing occurrence of multidrug-resistant bacteria is one of the major global threats to human health. Design of new…
StarDrop’s R-group analysis makes it quick and easy to explore the variation of properties by the substituents within a chemical series. This…
We introduce the ForceGen method for 3D structure generation and conformer elaboration of drug-like small molecules.
This paper, co-authored with our colleagues at NextMove Software, explores applications of Matched Series Analysis within StarDrop’s Nova module to…
Try Matched Series Analysis in this follow-along tutorial
Surflex-QMOD integrates chemical structure and activity data to produce physically-realistic models for binding affinity prediction.
This short video illustrates how to perform Matched Molecular Pair Analysis (MMPA) within a chemical series using StarDrop’s R-group analysis tool. This…
This short movie gives an introduction to StarDrop’s Matched Series Analysis which is part of the Nova module which searches databases of…
This article explores the benefits of a more intuitive and flexible approach to viewing and interacting with drug discovery data,…
In this example, Card View is applied to analyse the results from a kinase project in which a large screening…
This short video gives an introduction to the Matched Molecular Pair Analysis tool in StarDrop and how you can interact…
This short video gives an introduction to the Activity Neighbourhood analysis tool in StarDrop’s Card View.
This short video gives an introduction to the Clustering tool in StarDrop and how you can interact with the results…
