Chemical identifier resolver
This script enables the user to generate chemical identifiers (where possible) from the molecular structures in a data set using…
eMolecules plug-in for StarDrop
Version This script is for the latest version of StarDrop for either Windows or Mac. To find out which version you have…
AtlasCBS script for StarDrop
This AtlasCBS script, created by Dr Cele Abad-Zapatero of the University of Illinois at Chicago and Alvaro Cortes from the University of Alcala de Henares…
Export to Excel StarDrop script
The Export to Excel script provides a quick and easy way to transfer the contents of a data set straight…
Find Similar Compounds in PubChem, ChEMBL or the PDB script for StarDrop
This script provides the ability to search PubChem, ChEMBL or the PDB for similar compounds in StarDrop. Version This integration is available to use with the latest…
Ligand Efficiency script for StarDrop
This script provides a method for calculating Ligand Efficiency in StarDrop; a simple quantifiable metric for assessing whether a ligand derives…
ScienceCloud access from StarDrop
This script provides the ability to connect directly to ScienceCloud, download data from libraries or saved queries of your choice and…
The axes on the chemical space plot aren’t labelled. What do they represent?
The x- and y-axis are not labelled because the visual clustering method being used is a nonlinear reduction algorithm attempting…
The arrow of pKa calculations is greyed out. How can I run the pKa models?
For the pKa models, the arrow is greyed out until you select some rows in your dataset. The pKa calculations…
How do I find the uncertainty for each ADME QSAR model prediction?
Every model prediction is associated with an estimate of its confidence. You can see these by clicking on the ‘show…
What are the methods to cluster my compounds in StarDrop?
In StarDrop, you can choose to cluster your data based on common substructure, chemical structure or property values. Structure and…
How can we use our in-house data to make predictions?
All of the models in StarDrop’s ADME QSAR module are rigorously validated using external, independent test sets. You can find…
What are the units of logS before the log function is applied?
LogS is log uM, so a logS of 1 corresponds to a solubility of 10 uM.
How do I make a template project that can automatically analyse and plot my data?
Everything that an user has been working on within StarDrop at any one time is part of a single project.…
Do I have to use the scoring profiles provided in StarDrop?
You can easily define scoring profiles to define the properties and criteria that you require for a high-quality compound for…
How are standard scoring profiles created?
The scoring profiles were developed in collaboration with expert DMPK scientists. It is based on their experience of successful drug…
Does your model-building workflow detect outliers?
Auto-Modeller doesn’t currently detect outliers when building models, it is dependent on a user’s own judgement. The Gaussian Processes methods…
Will StarDrop parse out the greater than or less than signs?
For example, I realised after the fact that the data contains a continuous value (1.23, 34.35, etc) but also “>100”.…
What papers are available for published by StarDrop users and included the results of Auto-modeller?
We have published several papers using the methods in the Auto-Modeller. They are: In most cases, our users apply the…