This webinar focused on the design of visualisation software for translational toxicology, with particular reference to the challenges that the many different sources of toxicology data pose.
Using the DUD-E+ benchmark, we explore the impact of using a single protein pocket or ligand for virtual screening compared with using ensembles of alternative pockets, ligands, and sets thereof.
Medicines for Malaria Ventures (MMV) and Optibrium developed this property criteria and MMV Antimalarial Scoring Profile and represent their criteria for prioritisation of compounds.
This study aimed to create a model for predicting pKa using a semi-empirical quantum mechanics (QM) approach combined with machine learning (ML).
The dissociation of a proton from a heteroatom has a significant influence on the charge distribution and interactions of a…
We introduce a new method for rapid computation of 3D molecular similarity that combines electrostatic field comparison with comparison of molecular surface-shape and directional hydrogen-bonding preferences (called “eSim”).
In this webinar, presented by our guest, Dr. Franca Klingler from BioSolveIT, we learn how novel search algorithms have been…
Introduction Existing computational models of drug metabolism are heavily focused on predicting oxidation by cytochrome P450 (CYP) enzymes, because of…
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…
To see some of the many ways you can customise your chart, by setting fonts and colours or adding grids…
You can add labels to your charts showing structure and data for key compounds or display your comments. Watch this…
Watch this video to see how you can edit the title of your chart and its axes, to precisely define…
In this video, we’ll see how to create a ‘dashboard’ containing multiple interactive charts, giving an instant overview of your…
In this quick video, we show the many ways you can interact with your chart to show exactly the data…
This video demonstrates how to format your charts, using the properties in your data set, by colour, size, symbol, transparency.
This short video introduces how to use the data visualisation in StarDrop to quickly create a chart in StarDrop from your data.
Here we’ll show how to tailor the format scales in your charts to highlight the property ranges in which you’re…
You can create very information-rich visualisations by plotting multiple series on a single chart. In this video, we’ll show you…
