SA Score
In the fast-paced world of drug discovery, efficiently filtering through vast virtual molecular libraries to identify compounds with high synthetic feasibility is crucial.
Chemical.AI's Synthetic Accessibility (SA) Score function provides a cutting-edge solution that advances the way chemists evaluate and prioritize potential drug candidates.
What is Our SA Score Function
Our SA Score function is designed to address the critical challenge of evaluating synthetic feasibility in large chemical libraries. By leveraging advanced algorithms, we deliver rapid and detailed assessments that help chemists prioritize compounds more likely to be synthesizable.
How Does Our Tool Work?
High-Throughput Screening
● Our synthesizability assessment enables high-throughput screening based on chemical synthesizability, allowing the evaluation of hundreds of thousands of molecules within a span of a few hours.
● This efficiency means you can input 100,000 molecules into our system before leaving work in the evening, and the results will be ready by the next morning.
Validation with Industry Leaders
● In a validation comparison with Merck's synthesis team, our AI demonstrated scoring abilities highly similar to those of Merck's synthesis experts.
● Our system analyzed 1,346 molecules, showing a high overlap in scoring with Merck's team. Our AI identified potentially usable intermediates in stock or available for trial, which human experts might miss, resulting in more accurate and lower scores for some molecules.
Comparison between SA Score and Chemists Evaluation (1346 Molecules)
Why Can We Help CADD and AIDD Teams Reach Their Goals?
In Computer-Aided Drug Design (CADD) and Artificial Intelligence-Driven Drug Discovery (AIDD) companies, computational chemists and medicinal chemists face the following goals
Why Choose Chemical.AI’s SA Score Over the Status Quo?
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