MolPort screening collection
StarDrop users who have licensed the Surflex eSim3D module can freely download prepared virtual screening collections for use in StarDrop. MolPort’s commercially available screening…
PAINS Filters
Baell and Holloway published a set of substructure filters for removal of what they termed “Pan Assay Interference Compounds (PAINS)” from…
Optibrium enables collaborative design in its StarDrop platform
The new Idea Tracker capability further improves the efficiency of drug discovery by supporting project management, idea sharing and molecule design tracking
Optibrium releases 3D ligand-based design module for StarDrop drug discovery software
Innovative predictive methods support virtual screening and compound design in the absence of 3D structure data.
Python custom model code for StarDrop
This example code shows how to write a custom model using Python. This example can be used to make in-house…
My machine ID has changed, what should I check?
This can occur due to plugging into a docking station or installing a virtual network adaptor such as a VPN.…
How do I set up and use a floating license?
The floating license is controlled by a license server. Whilst it can be installed on multiple computers, only one user…
What are the differences between a fixed, floating and site license?
A Fixed license is installed on a specific machine using the machine’s ID and governs which modules can be accessed…
My structures are drawn in many possible orientations, is there a way to align them all in a similar orientation?
Yes, it is possible to align molecules in StarDrop. To do this, select Align 2D Diagrams from the Data Set…
What do the Glowing Molecule colours mean?
A Glowing Molecule represents the model result indicating the parts of the molecule that have the greatest influence on the…
What file types can I upload into StarDrop and Semeta?
StarDrop and Semeta can read SD (.sdf), comma separated value (.csv), SMILES (.smi), text (.txt), mol (.mol) and mol2 (.mol2)…
Is there a limit to the number of compounds I can analyse in StarDrop?
There is no hard limit to the number of compounds that can be loaded and analysed in StarDrop since it…
How do I perform a scaffold hop?
See worked example for the Nova library enumeration, the example will outline steps for generating a library of virtual compounds.…
How do I perform Reaction-based library enumeration in Nova?
This is a worked example that uses the reaction-based library enumeration feature in StarDrop’s Nova module to generate a library…
Do the ADME models get updated when new data is available?
The models are retrained on an ad hoc basis. The models we provide are intended to cover as much of…
How can we integrate our custom models with StarDrop?
It is possible to add custom models scripted in Python to StarDrop using the StarDrop model server. From the StarDrop…
How does MPO Scoring handle missing or unknown data?
Compounds with missing or unknown data will receive a representative score based on the rest of the data set with…
Enamine screening collection
StarDrop users who have licensed the Surflex eSim3D module can freely download prepared virtual screening collections for use in StarDrop. Enamine’s commercially available screening…
CDD Vault Access from StarDrop
Version This script is for the latest version of StarDrop for either Windows or Mac. To find out which version you have…
