By measuring how different datasets affect the performance of trained models, CAS helps Pharma IQ readers make stronger assertions regarding the expected coverage and novelty of synthesis planning solutions, and design datasets that will open up previously difficult areas of science.
In this study, scientists at Bayer demonstrate the significant impact that scientist-curated reactions from the CAS Content Collection have on the predictive power of a synthesis planning model. Accuracy in prediction of outcomes in rare reaction classes increased significantly – a boost of 32 percentage points – expanding understanding into new, useful chemistry.
Download this report to find out:
- Why there is no one-size-fits-all solutions to unique challenges with scientific information.
- What content, technology and expertise CAS has at hand to meet unique data and analytics needs.
- How CAS helped Bayer scientists increase prediction accuracy by 32 percentage points.