XtalPi Leverages AWS to Enhance Drug Discovery

December 04, 2024 at 09:00 AM EST

Global leader in AI and robotics drug-discovery technologies selects AWS as its cloud provider

XtalPi uses generative AI to enable faster and more cost-efficient research, data mining, and analysis

At AWS re:Invent, Amazon Web Services, Inc. (AWS), an Amazon.com, Inc. company (NASDAQ: AMZN), today announced that XtalPi, a leading global technology company that combines artificial intelligence (AI) and robotics to drive the discovery of medicine and innovative materials, has selected AWS as its strategic cloud provider. XtalPi uses AI, quantum physics, and robotics to drive innovation in life sciences, chemistry, and new materials. Using AWS, XtalPi helps hundreds of companies, including 16 of the world’s top 20 pharmaceutical companies, expedite drug discovery and development, ensure data security and privacy compliance, and enhance their success rates in developing promising new therapies for patients.

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Using Amazon Bedrock to pinpoint promising areas for drug research

XtalPi offers a suite of computational tools and platforms to advance pharmaceutical and new-materials research. Combining quantum physics, computational chemistry, and AI, XtalPi empowers scientists to efficiently explore areas for the design and rapid screening of molecules with desired properties and functions. Most recently, XtalPi developed and launched PatSight, a patent data-mining and analysis platform, in collaboration with International Digital Economy Academy (IDEA). Using Amazon Bedrock, PatSight analyzes thousands of compound structures and key properties in an hour versus manual processes that can take several weeks. Anthropic Claude 3 Opus provides contextual understanding and textual range of 200,000 tokens (about 150,000 words or 500 pages of text), enabling PatSight to achieve more than 95% accuracy in determining if a molecule or chemical compound is covered by existing drug patents.

“AWS’s flexible, secure, and scalable approach to generative AI makes it easy to create solutions that enhance drug development and speed the delivery of successful treatment approaches,” said Yongpan Chen, head of the Digitalization Department at XtalPi. “With industry-leading security and compliance practices, AWS empowers XtalPi to continuously enhance the capability of our platforms as our business continues to expand. We look forward to deepening our collaboration with AWS to apply cloud technologies and power digital transformation in life sciences and materials science on a broader scale.”

Rapidly delivering new features with Amazon Q

XtalPi's software developers use Amazon Q Developer, a generative AI assistant for software development, to help its IT teams quickly transform code, generate suggestions, optimize performance, and conduct vulnerability scans, significantly enhancing Java development and enabling greater focus on application innovation. Additionally, Amazon Q Developer's customization features help XtalPi developers to integrate it with enterprise system data, creating a knowledge base of reusable code, which leads to better code suggestions and faster application deployment.

Enhancing efficiency and the success rate of drug discovery with Amazon SageMaker

XtalPi uses Amazon Elastic Kubernetes Service (Amazon EKS), a managed service to run Kubernetes, to simplify container deployment and scaling while reducing costs and improving resource efficiency. XtalPi also leverages Amazon EC2 Spot Instances, which offer compute capacity at up to a 90% discount, to enhance research and development efficiency and cut operational and maintenance costs by more than 50%. By integrating Amazon SageMaker into its AI drug-discovery platform, XtalPi can accelerate the creation and deployment of machine learning models to help advance its AI and robotics platform.

“AWS’s security and scalability allow XtalPi to develop cloud-based platforms that enhance the efficiency of drug research for leading pharmaceutical companies worldwide,” said Deepak Nair, director, Healthcare and Life Sciences at AWS. “AI-driven workflows are poised to transform the rate at which we can move through the drug-discovery process, driving new therapy breakthroughs with lower development costs and faster delivery of lifesaving treatments.”

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