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)
How Can We Help CADD and AIDD Teams Reach Their Goals?
Generate vast libraries of novel chemical structures.
In Computer-Aided Drug Design (CADD) and Artificial Intelligence-Driven Drug Discovery (AIDD) companies, computational chemists and medicinal chemists face the following goals
Efficiently screen and prioritize these structures for further development.
Balance synthetic accessibility with predicted biological and phsysicochemical properties.
Reduce the time and cost associated with the experimental synthesis of potential drug candidates.
Our Innovative Approach
Our SA Score uniquely addresses
• Availability of building blocks.
• Reaction logic and complexity.
• Cost of starting materials.
This holistic evaluation makes our solution effective and efficient.
Why Choose Chemical.AI’s SA Score Over the Status Quo?
Our SA Score function delivers highly accurate assessments comparable to industry experts.
Accuracy and Reliability
Detailed evaluations that consider practical synthesis challenges, providing actionable insights for chemists.
Comprehensive Insights
High-throughput screening capabilities allow rapid assessment of large molecular libraries, significantly reducing time and resources spent on evaluation.
Efficiency and Speed
Regular updates and improvements based on the latest research ensure our solutions remain at the forefront of the industry.
Continuous Improvement
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