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Combine your expert chemistry knowledge and the exploratory power of generative methods for compound design

AI for generative compound design

Inspyra™ dynamically learns from you to guide generative chemistry algorithms to focus on the most relevant chemistry spaces and helps you consider optimisation strategies that are most likely to succeed in your projects.

Contact us for your free trial license and explore Inspyra™ on your projects


AI that learns from your interactions to generate optimal compound ideas

Effectively explore vast regions of chemistry space around your chemical series to propose new compounds fitting your project

Intuitively explore optimisation strategies for individual compounds focussing on the most promising substitutions

Whether you are expanding large compound collections or small numbers of analogues, Inspyra™ helps you generate optimal compound ideas faster

Inspyra™ combines your expert chemistry knowledge and the exploratory power of generative methods to help you identify optimal compounds faster.

Effective chemistry space exploration: While working on your project in StarDrop, new compound ideas are suggested in a panel below the dataset. When you interact with an idea to select, like, ignore, dislike, or pin it, Inspyra™ learns from your feedback to guide further exploration.

Exploring optimisation strategies: Explore the effects of fragment substitutions on a property of interest. Follow up on individual compounds or enumerate small libraries combining your favourite fragments.

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A proven artificial intelligence platform for active learning in drug discovery


A complete package of fully integrated, elegant software for small molecule design, optimisation and data analysis.


A free and easy-to-use Windows® and Mac® application, designed as simple way to browse through data sets of molecule structures and data.