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Founded Year



Series D | Alive

Total Raised




Last Raised

$400M | 2 yrs ago

Mosaic Score
The Mosaic Score is an algorithm that measures the overall financial health and market potential of private companies.

+20 points in the past 30 days

About XtalPi

XtalPi provides quantum physic-based artificial intelligence (AI) for drug research and development. It offers accurate predictions on the physicochemical and pharmaceutical properties of small-molecule candidates for drug design, solid-form selection, and other critical aspects of drug development. XtalPi was founded in 2014 and is based in Shenzhen, China.

Headquarters Location

289 Data Peninsula, No. 2, Hongliu Road 3rd Floor

Shenzhen, Guangdong, 518040,


+86 755-81901777


ESPs containing XtalPi

The ESP matrix leverages data and analyst insight to identify and rank leading companies in a given technology landscape.

Healthcare & Life Sciences / Drug R&D Tech

Quantum computing for drug discovery is an emerging technology that offers powerful new capabilities for the pharmaceutical industry. By leveraging quantum algorithms and computing power, drug manufacturers can explore more potential solutions and develop new treatments more quickly and accurately than ever before. Quantum computing for drug discovery holds the promise of more accurate simulations…

XtalPi named as Leader among 11 other companies, including Classiq, Qunova Computing, and Terra Quantum.

XtalPi's Products & Differentiators

    Small molecule drug discovery

    Combining AI and computational chemistry, we developed a series of innovative methods to address challenging drug discovery and design tasks, including molecular structure generation, binding affinity prediction, and key drug property predictions. Based on these AI-empowered capabilities, we are working with industry partners in the discovery of small molecules and biologics to further expedite early-stage pharmaceutical research, improve research efficiency, reduce costs, and increase the overall success rate of innovative therapeutics R&D.


Research containing XtalPi

Get data-driven expert analysis from the CB Insights Intelligence Unit.

CB Insights Intelligence Analysts have mentioned XtalPi in 7 CB Insights research briefs, most recently on Aug 29, 2023.

Expert Collections containing XtalPi

Expert Collections are analyst-curated lists that highlight the companies you need to know in the most important technology spaces.

XtalPi is included in 6 Expert Collections, including Unicorns- Billion Dollar Startups.


Unicorns- Billion Dollar Startups

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Artificial Intelligence

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Companies developing artificial intelligence solutions, including cross-industry applications, industry-specific products, and AI infrastructure solutions.


Digital Health 150

150 items

The winners of the second annual CB Insights Digital Health 150.


Digital Health

10,585 items

The digital health collection includes vendors developing software, platforms, sensor & robotic hardware, health data infrastructure, and tech-enabled services in healthcare. The list excludes pureplay pharma/biopharma, sequencing instruments, gene editing, and assistive tech.


Drug Discovery Tech Market Map

221 items

This CB Insights Tech Market Map highlights 220 drug discovery companies that are addressing 12 distinct technology priorities that pharmaceutical companies face.


AI 100

100 items

Latest XtalPi News

Artificial Intelligence in Drug Discovery Market Expecting Huge Demand in Upcoming Years with a CAGR of 41.1%

Nov 28, 2023

News Provided By Share This Article Artificial Intelligence in Drug Discovery Market Artificial Intelligence in Drug Discovery Market is projected to experience a growth of approximately 41.1% during the forecast period spanning from 2023 to2030 The Global Artificial Intelligence in Drug Discovery Market is projected to experience a growth of approximately 41.1% during the forecast period spanning from 2023 to 2030.” — Harry HYDERABAD, TELANGANA, INDIA, November 28, 2023 / / -- The latest Report Available at USD Analytics Market, “ Artificial Intelligence in Drug Discovery Market ” provides a pin-point analysis of changing competitive dynamics and a forward-looking perspective on different factors driving or restraining industry growth. As the Political, Economic, Social, Technological, Environmental, and Legal factors continue to change, business leaders across industries have shifted focus to strategic objectives to achieve market excellence. The “Global Artificial Intelligence in Drug Discovery Market Size, Share Analysis with Forecast to 2030” report comes with comprehensive business strategies and plans that have proven to propel business growth in such a scenario. For that purpose, companies require relevant information and market intelligence-based insights to measure changing market trends, best practices, competitors’ market position, customers’ needs, and demand-supply changes. The Artificial Intelligence in Drug Discovery Market report covers an extensive analysis of the key market players, along with their business overview, expansion plans, and strategies. The key players studied in the report include: NVIDIA Corporation (United States), BenevolentAI (United Kingdom), Recursion (United States), Insilico Medicine (United States), Schrödinger Inc (United States), Exscientia (United Kingdom), Atomwise Inc (United States), Illumina Inc (United States), Microsoft Corporation (United States), Google (United States), NuMedii Inc (United States), XtalPi Inc (United States), Iktos (France), Tempus Labs (United States), Deep Genomics Inc (Canada), IQVIA Inc (United States), Labcorp (United States), Verge Genomics (United States), Valo Health (United States), BPGbio Inc (United States). For Early Buyers | Get Up to 25-30% Discount on This Premium Report: We help our customers settle on more intelligent choices to accomplish quick business development. Our strength lies in the unbeaten diversity of our global market research teams, innovative research methodologies, and unique perspectives that merge seamlessly to offer customized solutions for your every business requirement. The Global Artificial Intelligence in Drug Discovery Market is projected to experience a growth of approximately 41.1% during the forecast period spanning from 2023 to 2030. Definition: Artificial Intelligence (AI) has revolutionized drug discovery across various stages of the process. It plays a pivotal role in target identification and validation by analyzing biological data and expediting the validation of potential drug targets. In drug design and optimization, AI facilitates the creation of novel drug candidates through predictive modeling and reinforcement learning, improving molecular structures and optimizing lead compounds. AI-driven high-throughput screening automates and analyzes vast datasets to identify potential drug candidates rapidly. Predictive modeling extends to drug-drug interactions and clinical trial optimization, enhancing efficiency and anticipating challenges. AI's ability to integrate and analyze diverse data sources, coupled with natural language processing, aids in uncovering hidden patterns and information from scientific literature. Additionally, AI contributes to personalized medicine by tailoring treatments based on individual patient data, and it identifies opportunities for drug repurposing. Despite challenges, the symbiosis of AI and drug discovery accelerates the development of innovative and more effective therapeutics, reshaping the landscape of the pharmaceutical industry. The following fragment talks about the Artificial Intelligence in Drug Discovery market types, applications, End-Users, Deployment model, etc. A Thorough Analysis of Artificial Intelligence in Drug Discovery Market Segmentation: By Component (Software, Hardware, Others), By Application (Drug optimization and repurposing, Preclinical testing, Others), By Technology (Machine Learning, Natural Language Processing, Context-Aware Processing, Others), By Therapeutic Area (Oncology, Neurodegenerative Diseases, Cardiovascular Disease, Metabolic Diseases, Infectious Disease, Others) As the Artificial Intelligence in Drug Discovery market is becoming increasingly competitive, it has become imperative for businesses to keep a constant watch on their competitor strategies and other changing trends in the Artificial Intelligence in Drug Discovery market. The scope of Artificial Intelligence in Drug Discovery market intelligence has proliferated to include comprehensive analysis and analytics that can help revamp business models and projections to suit current business requirements. Download Sample Pages in PDF format (full table of contents, figures, and more) @ What are the market factors that are explained in the Artificial Intelligence in Drug Discovery Market report? – Key Strategic Developments: Strategic developments of the market, comprising R&D, new product launch, M&A, agreements, collaborations, partnerships, joint ventures, and regional growth of the leading competitors. – Key Market Features: Including revenue, price, capacity, capacity utilization rate, gross, production, production rate, consumption, import/export, supply/demand, cost, market share, CAGR, and gross margin. – Analytical Tools: Analytical tools such as Porter’s five forces analysis, SWOT analysis, feasibility study, and investment return analysis have been used to analyze the growth of the key players operating in the market. Some Points of Table of Content: Chapter One: Report Overview Chapter Three: Value Chain of Artificial Intelligence in Drug Discovery Market Chapter Four: Players Profiles Chapter Six: North America Artificial Intelligence in Drug Discovery Market Analysis by Countries Chapter Seven: Europe Artificial Intelligence in Drug Discovery Market Analysis by Countries Chapter Eight: Asia-Pacific Artificial Intelligence in Drug Discovery Market Analysis by Countries Chapter Nine: Middle East and Africa Artificial Intelligence in Drug Discovery Market Analysis by Countries Chapter Ten: South America Artificial Intelligence in Drug Discovery Market Analysis by Countries Chapter Eleven: Global Artificial Intelligence in Drug Discovery Market Segment by Types Chapter Twelve: Global Artificial Intelligence in Drug Discovery Market Segment by Applications Buy now the Latest Version of the Report @ \ Thanks for reading this article; you can also get individual chapter-wise section or region-wise report versions like North America, West Europe, or Southeast Asia. About Author: USD Analytics is a leading information and analytics provider for customers across industries worldwide. Our high-quality research publications are connected market. Intelligence databases and consulting services support end-to-end support our customer research needs. Ambarish Ram CH

XtalPi Frequently Asked Questions (FAQ)

  • When was XtalPi founded?

    XtalPi was founded in 2014.

  • Where is XtalPi's headquarters?

    XtalPi's headquarters is located at 289 Data Peninsula, No. 2, Hongliu Road, Shenzhen.

  • What is XtalPi's latest funding round?

    XtalPi's latest funding round is Series D.

  • How much did XtalPi raise?

    XtalPi raised a total of $783.81M.

  • Who are the investors of XtalPi?

    Investors of XtalPi include Tencent, 5Y Capital, HongShan, IMO Ventures, Sino Biopharmaceutical and 27 more.

  • Who are XtalPi's competitors?

    Competitors of XtalPi include Oncocross, TandemAI, BenevolentAI, Redesign Science, Exscientia and 7 more.

  • What products does XtalPi offer?

    XtalPi's products include Small molecule drug discovery and 4 more.

  • Who are XtalPi's customers?

    Customers of XtalPi include Pfizer , Signet Therapeutic, Geode therapeutics and Huadong Medicine.


Compare XtalPi to Competitors

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Atomwise develops machine learning-based discovery engines and uses deep learning and artificial intelligence (AI)-based neural networks to help discover new medicines. It predicts drug candidates for pharmaceutical companies, start-ups, and research institutions and designs drugs using computational drug design. The company was founded in 2012 and is based in San Francisco, California.


BioMap is a pioneer in the field of life science, specifically in the domain of artificial intelligence (AI) foundation models. The company's main service involves building AI foundation models to understand and predict the behavior of life at various scales of complexity, and to generate diverse proteins quickly and accurately. These models are primarily used in the life science industry, aiding in tasks such as drug discovery, early screening and diagnosis, and other precision medicine products. It was founded in 2020 and is based in Beijing, Beijing.

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MNM Bioscience

MNM Bioscience develops analytical tools and delivers key answers to patients and clinicians by combining genome analysis with the latest technological breakthroughs in AI. The company was founded in 2018 and is based in Cambridge, Massachusetts.


PharmCADD develops Pharmulator, a computer-aided drug discovery and development platform. The platform utilizes computational science methodologies, advanced machine learning technologies, and molecular dynamics. It was founded in 2019 and is based in Busan, South Korea.

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Brightseed is a bioactive company that combines artificial intelligence with deep learning and omics analyses to discover small molecules in plants that benefit human health. Its proprietary AI technology Forager, accelerates bioactive discovery, biological validation, and ingredient formulation. The company was founded in 2017 and is based in South San Francisco, California.

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Aitia is a company focused on the development and application of Causal AI and Digital Twins in the pharmaceutical industry. The company's main services include the discovery of drugs for neurodegenerative disorders, oncology, and immunology by revealing hidden biological mechanisms of diseases and creating Digital Twins. These Digital Twins are used to discover novel therapies and accelerate research and development in various diseases such as Alzheimer’s Disease, Parkinson’s Disease, Huntington’s Disease, multiple myeloma, prostate cancer, and pancreatic cancer. It was founded in 2000 and is based in Cambridge, Massachusetts.


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