AI drug designer XtalPi raises $318M for AI-based drug discovery

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XtalPi may be a pharmaceutical technology company that’s reinventing the industry’s approach to drug research and development with its Intelligent Digital Drug Discovery and Development (ID4) platform. With its interwoven physics, AI, and high-performance cloud computing algorithms, XtalPi’s ID4 platform provides accurate predictions on physicochemical and pharmaceutical properties of small-molecule for drug design, solid-form selection, and other critical aspects for drug development. XtalPi is devoted to improving the efficiency, accuracy, and success rate of drug research and development, and contributing to a healthier society worldwide.

XtalPi has built an elite team with multi-disciplinary expertise in physics, chemistry, pharmaceutical R&D, and algorithm design. XtalPi’s cutting-edge technology, innovative solutions, and diverse applications across the pharmaceutical chain have helped it to gain industry approval and establish strategic partnerships with the world’s top international pharmaceutical companies.


XtalPi has raised $318.8m during a Series C funding round co-led by SoftBank Vision Fund 2, PICC Capital, and Morningside. The company plans to use the funds to proportion its AI and cloud computingpowered platform to enable the discovery of drug candidates with individualized pharmaceutical profiles. XtalPi platform integrates physics-based and data-driven models to deal with drug properties necessary for advancement into clinical studies.he company will use its virtual R&D platform predictions and real-world data to make a digital-twin drug R&D system to assist find drug candidates with fewer experiments and in less time.

XtalPi has plans to develop the capabilities of its Intelligent Digital Drug Discovery and Development (ID4) platform using algorithms, data, and computing power. The company aims to face the efficiency challenges during the research. With quantum-based theories and AI models at its core, XtalPi’s platform hosts over 100 prediction algorithms. It can clearly describe the interaction between molecules and proteins at the atomic level and map various feature vectors of a compound to key pharmacology properties. the corporate also leverages the huge amount of high-accuracy data within the chemical space of drug-like molecules generated from quantum physics calculations for data analysis and model training. XtalPi maintains a petabyte-scale database that consists of pharmaceutically active molecules and key drug characteristics which continues to grow as its business rapidly expands.

Across several prominent global cloud providers, XtalPi routinely builds a supercomputing cluster of over 1,000,000 cores on-the-fly, in only a couple of hours, to enable dozens of drug discovery and style projects in parallel. In developing its digital-twin drug R&D system, XtalPi will still match real-world R&D data with increasingly powerful virtual simulations at scale and extend its existing success to serve a bigger number of biotech partners, therapeutic areas, and drug discovery projects.