StarDrop and Plexus: Guiding the design of high quality compound libraries

presentation · 8 years ago
by Matthew Segall (Optibrium)
Plexus Suite

Optibrium's StarDrop software platform helps to guide the selection and design of high quality compounds in drug discovery. StarDrop's unique approaches, such as the Glowing Moleculeā„¢ and Probabilistic Scoring, integrate experimental and predictive data to quickly focus resources on chemistries with a high chance of success, improving the efficiency and productivity of hit-to-lead and lead optimisation. These capabilities are provided in a highly visual and intuitive desktop environment and can be extended with optional modules, including: predictive models of ADME properties and P450 metabolism; robust, automatic QSAR model building; 'idea generation' using medicinal chemistry transformation rules, including >20,000 precedented compound modifications from the BIOSTER database; 3D SAR with Cresset's torch technology; and toxicity prediction with Lhasa Limited's Derek Nexus platform.

In this presentation, we will describe how StarDrop has been seamlessly integrated with ChemAxon's Plexus platform, to combine Plexus' tools for Markush and reaction based library enumeration with StarDrop's ability to quickly and effectively prioritise the resulting compound libraries.

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