SeeSAR graphics interface stopped working, what should I check?
Check the driver for any updates this can be found in the help section at the BioSolverIT website. The section…
Can I perform covalent docking calculations using SeeSAR Pose?
SeeSAR Pose in StarDrop cannot dock covalent molecules. However, these can be treated like other non-covalent ligands where the bond…
For QSAR models, why is the 2C9 pKi a continuous model but 2D6 is categorical?
This is due to a difference in data quality. The CYP2D6 model is categorical due to an uneven distribution in…
Some of my P450/Metabolism calculations are not returning results. The Metabolism results are returned but not the full analysis.
Some compounds do take much longer than others and this is due in part to the number of possible conformations…
Can I find rate of metabolism using the Metabolism module?
Quantitative prediction of metabolic rate for diverse chemistry is currently intractable based on structure alone. Local models of metabolic rate…
Which preclinical species models are covered in StarDrop and why?
The preclinical species models covered in the Metabolism module are rat, mouse and dog. These preclinical species were covered due…
How can I customise the visualisation to only see the enzymes which are important to me?
Go to Metabolism tab, blue arrow (right click ‘Select models to run’). Custom and check off metabolic enzymes to run.
What is the difference between ‘Inactive’ and ‘No alert’?
Each prediction takes the form of a structural alert, identifying the structural feature which gives rise to the predicted risk…
How do I check which version of the Derek Nexus knowledgebase I am using?
The Derek Nexus knowledgebase version is displayed in a tooltip when you hover over an endpoint prediction. The tooltip also…
How can I calculate descriptors using Auto-Modeller?
To calculate descriptors on the current data set, click the Calculate descriptors on the current dataset button within the Auto-Modeller…
Where can I get the list of descriptors calculated by StarDrop?
A list and description of the descriptors used by the Auto-Modeller is available in Appendix 17.2 of the StarDrop Reference…
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…
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”.…
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…
Is there a way to restart and clear the queue of jobs submitted by the Auto-modeller?
Please check with your internal I.T team with admin access to the server. They can run the following commands “/etc/init.d/StarDrop_amg…
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…
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…
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.
Do the ADME models learn from our data?
No, StarDrop’s ADME QSAR model will not learn from your data. However, if you want to build ADME models based…