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With recent releases of StarDrop we've been gradually increasing the number of ways that users can customise the things StarDrop can do for them (running proprietary or third party models, getting data via Pipeline Pilot, Python scripting etc.). We don't always want to include every idea in an actual release but we're going to use this section to provide extras that you can choose to download if they look interesting. We're also going to use this to try out some new ideas so that you can tell us exactly what you think. It's currently only possible for the StarDrop team to submit content to this section but if you have anything you'd like to make available for other users then let us know and we'll help you get it up here (and make sure you get the credit for it!).

Popular Downloads

Lipophilicity Efficiency

This script provides a method for calculating Lipophilicity Efficiency; a simple metric for considering how much of the ligand's ability to bind is due to high lipophilicity, thus introducing additional risk of poor permeability or high clearance.

The installer file and instructions for how to install and use the script are provided in the following pages...

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Ligand Efficiency

This script provides a method for calculating Ligand Efficiency; a simple metric for assessing whether a ligand derives its potency from having an optimal fit with the protein target or simply by virtue of making many contacts.

The installer file and instructions for how to install and use the script are provided in the following pages...

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Number of Aromatic Rings

This calculates the number of aromatic rings in a compound. This has been proposed by Ritchie and Macdonald as a characteristic that is inidcative of the developability of a compound (Ritchie and Macdonald (2009), Drug Discov. Today 14 pp. 1011-1020). They suggest that greater than three aromatic rings increases correlates with poorer compound developability and an increased risk of attrition in development.

When installed, this will appear in StarDrop in the "Models" tab alongside the ADME QSAR models and other simple properties as a "Custom model", allowing it to be calculated easily for any data set. If you've not used custom models before, details on how to install it are available on the following pages, along with the model file...

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