Release Notes for June 2025

Faster, More Accurate, and Diverse Route Predictions with Expanded Substance Libraries and Pending AI Enhancements

In this release, we have expanded the commercial substance libraries and enhanced the Pending AI system to deliver faster, more accurate, and diverse retrosynthetic route predictions.

Key updates include:

• Expansion of the Building Block commercial library to increase the likelihood of successful predictions.
• Growth of the Reaxys commercial substances (RCS) “Any” library by 36.6%, reaching 150.6 million substances.
• Increase of the RCS 10 days (“RCS 10D”) library by 10.2%, now totalling 17.1 million substances.
• Improved resolve rate for Pending AI retrosynthesis solution, offering more options for novel synthetic routes.

Pending AI enhancements feature:

• Updated service now deliver results approximately 26% faster on average.
• Training on over 600,000 additional reactions and 10,000 more transformation patterns compared to the previous version.
• Generation of 20% more routes on average, supported by the expanded building block library.

Together, these updates enhance both the speed and quality of route predictions, providing users with faster access to a broader range of synthetic ideas.