Iktos -Model Spaya.ai -Artificial Intelligence Software
Spaya uses Artificial Intelligence to discover and prioritize synthetic routes.
Spaya is designed to help synthetic and medicinal chemists in their retrosynthetic endeavors. Powered by AI, it performs an exhaustive analysis of all possible synthetic routes toward a given compound and ranks them according to various criteria. Spaya goes beyond retrosynthetic analysis by providing a platform to exchange ideas and foster collaboration.
Score thousands of molecules for synthetic accessibility in less than one hour with our Spaya API!- Input up to hundreds of thousands of molecules through a command line.
- Get a Retro Score (RScore), Iktos proprietary score, which takes into account the number of reaction steps, the convergence of the routes and the probability of the AI models. In addition to the RScore, the number of steps of the shortest route is provided.
- Easily incorporate our technology into your workflow (Knime, Pipeline Pilot, Jupyter notebook and more).
- Available on AWS with an autoscaling number of CPUs or on your VPC.
per molecule per
worker
molecules per hour with the default mode
To date, Spaya’s AI engine has been trained on several millions of reactions. It is a good starting point but we are committed to empower the algorithm with more and more reaction data, thereby enhancing its performance. We are also continuously improving the algorithm and developing new features to facilitate the analysis of the results.
Just type or paste the SMILES of your target compound in the search bar. It is as simple as that!
Spaya displays a ranked list of synthetic routes. You can pick the most relevant ones and analyze them step by step.
Each retrosynthesis in Spaya ends with commercially available building blocks. You can then save the results or place an order for the starting materials of your reaction.
Connect Spaya API to your pipeline
With a few lines of code, you will be able to integrate Spaya into your existing workflow and enhance all your molecule discovery pipelines with our Retro score.