eMolecules plug-in for StarDrop
Version This script is for the latest version of StarDrop for either Windows or Mac. To find out which version you have…
Google Patent and Google Scholar plug-in for StarDrop
This script enables you to search Google Patent and/or Google Scholar for patent and literature information within StarDrop. Version This integration is available to…
Models for success: improving drug metabolism prediction
Out now in Drug Target Review, Optibrium’s Director of Computational Chemistry, Dr Peter Hunt discusses why early in silico metabolism prediction is crucial…
Metabolism prediction, 3D virtual screening and more – meet StarDrop 7.5
We 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; high performance virtual screening; additional workflow improvements
Optibrium releases powerful metabolism prediction capability in next generation StarDrop software
Backed by six years’ research, the new StarDrop Metabolism module combines quantum mechanics and machine learning to better predict the metabolic fate of drug candidates.
Chemical identifier resolver
This script enables the user to generate chemical identifiers (where possible) from the molecular structures in a data set using…
Ligand Efficiency script for StarDrop
This script provides a method for calculating Ligand Efficiency in StarDrop; a simple quantifiable metric for assessing whether a ligand derives…
Export to Excel StarDrop script
The Export to Excel script provides a quick and easy way to transfer the contents of a data set straight…
Find Similar Compounds in PubChem, ChEMBL or the PDB script for StarDrop
This script provides the ability to search PubChem, ChEMBL or the PDB for similar compounds in StarDrop. Version This integration is available to use with the latest…
ICSYNTH light Plug-in for StarDrop
This script enables you to access ICSYNTH light to evaluate possible synthetic pathways for new molecules designed in StarDrop’s interactive designer or Nova…
Manifold integration for StarDrop
Version This integration is available to use with the latest version of StarDrop (Windows and macOS). To find out which version…
ChEMBL plug-in for StarDrop
ChEMBL is probably the foremost manually curated database of bioactive molecules with drug-like properties. It brings together chemical, bioactivity and genomic…
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…
AtlasCBS script for StarDrop
This AtlasCBS script, created by Dr Cele Abad-Zapatero of the University of Illinois at Chicago and Alvaro Cortes from the University of Alcala de Henares…
Introduction to the Metabolism module
The Metabolism module enables you to accurately predict the major metabolic routes, sites, products and lability of Phase I and…
2D structure alignment
Using the 2D structure alignment tool in StarDrop, define a substructure to perform a rigid alignment of molecules in the data set.
3D virtual screening with Surflex eSim3D
When exploring chemistry space around a known hit or lead, you can use 3D virtual screening to identify new compounds…
Matched series analysis
The objective in this worked example is to identify new derivatives that are likely to improve activity at their target, given the SAR already generated on a project.
How to be a great drug discovery chemist
Watch our panel of experts as they discuss tactics to achieve success in your medicinal chemistry projects, experiences they’ve had and advice they would give. Learn about the key challenges today’s drug hunter needs to overcome, the skills it takes to gain success across pharma and biotech, and what the future may hold for this industry.
