How do I restart the license server?
To restart the license server, use the command “/etc/init.d/StarDrop_sls restart”. Then, restart the StarDrop client and you should be able…
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…
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…
How synthetically feasible are the suggestions given by Inspyra?
Ideas generated from StarDrop can be assessed for their synthetic feasibility by running the ICSYNTH or Manifold scripts. The ICSYNTH…
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…
How do you assess chemical similarity?
Chemical similarity is measured using the Tanimoto index calculated between topological path-based fingerprints, with a maximum path length of 7…
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…
How synthesisable are the molecules proposed by StarDrop’s Nova module?
The Nova ideas generated depend on the parameters set by users’ input, which are based on over 200 commonly known…
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…
How do I customise Nova to add my own transformations?
The Nova ideas generated depend on the parameters set by users’ input, which are based on over 200 commonly known…
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…