Inspyra™ combines your expert chemistry knowledge and the exploratory power of generative methods to help you identify optimal compounds faster.
Dynamic learning to generate better compounds
As you work, Inspyra generates new compound ideas in the background while dynamically learning from your interactions. Your responses to Inspyra’s suggestions guide generative chemistry algorithms to explore the most relevant chemistry spaces and suggest optimisation strategies that are most likely to succeed in your project.
Inspyra enables you to:
- Generate new compound ideas to achieve your goals, whether you are expanding large compound collections or small numbers of analogues
- Explore vast regions of chemistry space around your chemical series to propose new ideas that are more likely to establish success
- Consider optimisation strategies around individual compounds by focusing on the most promising substitutions
Better compounds in just a few clicks
Inspyra can be used in two modes:
Inspyra Panel: while working in StarDrop, new compound ideas are effortlessly suggested in a panel below the dataset. When you interact with an idea to select, like, ignore or dislike it, Inspyra will respond to your feedback, tailoring further compound suggestions based on your preferences. You can pin ideas within the panel to see them for longer, or select ideas to add these to your dataset for further evaluation.
Inspyra Designer: explore the effects on a property of interest by replacing fragments of a compound. Circling a region of a molecule to replace generates a list of potential substitutions, coloured to indicate whether they will increase or decrease the value of a particular property. Follow up on individual compounds or enumerate a small library from all the fragments of interest.
Learn to use Inspyra in our hands-on tutorial walkthrough.
Hear different perspectives on generative chemistry in our webinar.
Discover the research behind Inspyra in our supporting posters and publications.
Would you like to try Inspyra?
Get In Touch
Interested in trying out Inspyra? Complete the form and a member of the team will get in touch shortly to discuss your needs.