Welcome to the Optibrium Community





Forgot login?
Register

Downloads

Search


html/modules.php!!

Popular Downloads


GalaXi® Search Tool

Monday, 01 June 2020 12:13

The GalaXi® Search Tool is an add-on to StarDrop which searches the WuXi GalaXi® space for compounds that are similar to a query structure of interest. WuXi's GalaXi® is a chemical space that contains billions of virtual compounds, largely built from WuXi AppTec’s library of novel drug-like scaffolds. Due to a carefully selected building block supply and proven chemistry, the GalaXi® space consists of molecules that can be quickly synthesized on demand. Once you’ve identified compounds of interest, you can easily send the required information to WuXi to request a quote, directly from StarDrop. This tool is analogous to searching the GalaXi® space using BioSolveIT’s InfiniSee software and uses their FTrees technology to quickly search the enormous chemical space. You can find more information on FTrees at www.biosolveit.de/FTrees/.

This script provides an extension to StarDrop that enables you to search GalaXi® directly from StarDrop, returning the data pre-formatted and ready to analyse within StarDrop. For example, you can use this to

  • Investigate the chemical space local to your compound
  • Find structurally novel leads with improved properties or avoid patent-protected space

Read more...


Find Similar Compounds in PubChem, ChEMBL or the PDB

Wednesday, 07 September 2016 00:00

This script provides the ability to search PubChem, ChEMBL or the PDB for similar compounds.

The installer file and instructions for how to install and use the script are provided in the following pages...

Read more...


MMV Antimalarial Scoring Profile

Monday, 02 March 2020 13:48

This scoring profile was developed in collaboration with James Duffy of Medicines for Malaria Ventures (MMV) and represents their criteria for prioritisation of screening actives. It uses ten properties, including experimentally measured activities against the asexual blood stage, liver stage and sexual stages of the plasmodium parasite life cycle, selectivity over cytotoxicity in a mammalian cell line, alerts for undesirable substructures and various 'drug like' properties.

MMV Screening Actives Profile

Read more...


Latest Forums

Read more >