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…
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…
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…
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…
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…
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…
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…
How can I generate a library of virtual compounds with the Nova module?
Details on how to define a virtual library with the fragmentation tool in Nova can be found in Chapter 12…
What is the current version of the BIOSTER database?
It is a challenge to identify bioisosteric replacements that may be applicable to a chemistry of interest and assess the…
Are the Inspyra sessions and interactions saved in the project file?
Inspyra will not memorise the session and interactions of a user in a project file. If molecules were selected from…
What is a binding hypothesis and why should I use it?
One of the applications of the Surflex eSim3D technology is the ability to simultaneously align multiple ligands to generate a…
The floating license key is not working
Could you please perform the following steps: If you have any questions about going through these steps, please contact us…
What is the difference between reaction-based and scaffold-based enumeration in Nova?
Nova uses two different methods to enumerate virtual libraries, namely reaction-based and scaffold-based enumeration. With reaction-based library enumeration, select from…
Do we need to use StarDrop to access Cerella?
Cerella can integrate with discovery workflows via a REST API, making adoption easy. Cerella can also be accessed from within…
Can StarDrop models be exported into my own applications?
Yes, StarDrop’s Model Server includes a REST API by which any StarDrop Model (up to and including our ADME QSAR…
How many compounds can be run and visualised in a virtual screening with StarDrop?
There is no hard limit to the number of compounds that can be loaded and analysed in StarDrop since it…
How do I build a model based on my data?
In addition to the StarDrop Models, it is possible to create your own models from your data with the Auto-Modeller…
