SA Score

SA Score is a synthesizability assessment tool powered by the ChemAIRS® platform from Chemical.AI, designed to help chemists evaluate the synthetic feasibility of candidate molecules before committing resources to laboratory work. By combining AI-driven analysis with practical chemistry considerations, SA Score enables drug discovery and medicinal chemistry teams to prioritize the most accessible and cost-effective compounds from their libraries.

The tool is built for both individual compound evaluation and large-scale screening workflows, making it suitable for teams working across early-stage discovery, lead optimization, and compound library design.

How SA Score Evaluates Synthesizability

• Reaction Logic and Complexity: SA Score assesses the step efficiency and overall feasibility of proposed synthetic routes, helping chemists understand how practical a given pathway is to execute.
• Building Block Availability: The platform confirms that proposed routes rely on commercially available starting materials, reducing the risk of pursuing pathways that cannot be readily sourced.
• Cost Considerations: SA Score accounts for starting material prices and recommends the most cost-effective synthetic pathways, supporting smarter resource allocation.

High-Throughput Screening for Large Compound Libraries

• ChemAIRS® is capable of evaluating hundreds of thousands of molecules in hours, ranking each based on synthetic accessibility.
• Users can submit libraries of up to 100,000 molecules for overnight screening and review ranked results the following morning, dramatically accelerating the compound prioritization process.

Validation and Accuracy

• SA Score has been validated in a 1,346-molecule study in which ChemAIRS® matched the assessments of Merck's expert synthesis team, demonstrating industry-leading accuracy.
• The AI-driven assessments identified synthetic intermediates that human experts overlooked, improving both the robustness of research outcomes and overall workflow efficiency.

SA Score is accessible via the ChemAIRS® platform, which supports sign-in for existing users. It is positioned as a decision-support tool that accelerates compound prioritization by integrating feasibility, availability, and cost analysis into a single AI-powered scoring workflow.