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Using generative chemistry approaches to guide compound design

Join us on 22nd May

Generative chemistry approaches quickly and rigorously explore chemistry space to suggest new compound design ideas. We will demonstrate two of the approaches from StarDrop’s Nova™ module: idea generation using transformation rules to modify R-groups and frameworks; and matched series analysis to suggest new R-groups with context and confidence. We will show you how to focus the proposed ideas on those most likely to successfully meet your project objectives. 

You will also learn how StarDrop’s Inspyra™ module combines your chemistry expertise with the exploratory power of generative methods to design optimal compounds faster. As you work, Inspyra generates new compound ideas in the background while dynamically learning from your interactions. Your responses to Inspyra’s suggestions guide the generative chemistry algorithms to explore the most relevant chemistry spaces and suggest optimisation strategies that are most likely to succeed in your project. 

We will finish with some hints and tips, and please bring your questions on any area of StarDrop. Our team will be happy to address these during this session.