Fraction unbound calculation script for StarDrop
This StarDrop script estimates free fraction (fᵤ) in microsomes, hepatocytes, and plasma even when some assays are missing, converting “%…
Want to discover next generation drug discovery software? Watch Optibrium’s Chief Scientific Officer Ed Champness to explore the exciting new features in the latest release of StarDrop, built to elevate your drug discovery projects.
These include:
- the all-new Metabolism module – access precision modelling to determine Phase I and II metabolic routes, sites, products and lability, and guide compound design to avoid metabolic liabilities
- high performance virtual screening – new Surflex eSim3D capabilities enable you to run virtual screens on millions of compounds on your desktop, fast, getting excellent results in minutes
- additional workflow improvements – including improved 2D structural alignment and easier editing of structures.
More resources
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…
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…