Applying med chem transformations and multi-parameter optimisation
Summary This article on applying med chem transformations and multi-parameter optimisation describes the concepts and algorithms underlying StarDrop’s Nova module. We’ve developed…
Generative molecular design provides new exciting avenues of chemical space exploration. But how can we use these methods effectively to assess many optimisation strategies and find the compounds destined for success in our projects?
Watch Dr Matt Segall and Dr Michael Parker as they explore state-of-the-art generative chemistry, and discuss the importance of an augmented intelligence approach for successful drug discovery.
They demonstrate a range of generative chemistry methods within the StarDrop platform, and provide an early preview of Optibrium’s latest research in this field.
This webinar covers:
- The essential criteria that any algorithms must hit for successful generative chemistry
- How augmented intelligence approaches are maximising the effectiveness of generative chemistry
- A demo of Optibrium’s StarDrop Nova and Inspyra platforms for generating new compound ideas
- Optibrium’s latest research into new AI generative chemistry methodologies
Meet the speakers
Matt Segall, PhD
CEO and Company Director, Optibrium
Michael Parker, PhD
Principal AI Scientist, Optibrium.
More generative chemistry resources
Exploring optimisation strategies with Inspyra
This worked example uses Inspyra™ to interactively explore optimisation strategies to achieve a selective inhibitor of DPP-4 with appropriate physicochemical properties.
Harnessing generative chemistry – how scientists can guide compound idea generation
Why have generative chemistry methods been unable to redefine modern drug discovery and compound idea generation?’ In this session we shed light on a typical shortcoming of generative methods related to prioritising promising over unsuitable directions for exploration.
