AI drug discovery: what’s funding like now?

In our AI in drug discovery market deck, you will find everything you need to understand the market
SUMMARY
AI drug discovery: what’s funding like now? Funding is clearly stronger, with much larger rounds and far more capital available, but almost none of that improvement comes from a broad surge in the number of companies getting funded.
The market raised at least $4.84 billion in the latest 12 months, up from $1.95 billion, while the number of funded companies moved only from 51 to 53. The real change is depth, not breadth.
The stronger market survives the outlier test. Remove every round above $50 million and funding still rises by about 40%, which means the improvement is not just Isomorphic Labs, Earendil Labs and Chai Discovery distorting the total.
At the same time, capital concentration has become extreme. The top three financings account for nearly 68% of current funding, so the market is healthier underneath while also becoming much more winner-heavy at the top.
The entry point has weakened. First financings fell from 16 to 12, their median dropped to $7.45 million, and they now represent only 20.7% of deals. New companies are getting a smaller slice of a much bigger funding pool.
Follow-on capital tells the opposite story. Companies that had already raised attracted about $4.61 billion versus $1.17 billion previously, and the median follow-on climbed from $13.15 million to $23.2 million.
Series B is where the market has changed most visibly. Its deal share jumped from 3.7% to 17.2%, while it absorbed 56.2% of current capital. AI drug discovery is building a much thicker scaling layer between early research and later drug development.
The middle of the round-size distribution has moved up too. Deals below $5 million are much less common, while $20 million-to-$50 million financings now make up nearly a third of the market.
De novo design dominates dollars, but AI lead generation gives a cleaner picture of broadening demand: its deal count rose from six to ten and its median round increased to $20 million. Lead optimization moved the other way, dropping from nine financings to three.
The companies winning the biggest rounds increasingly connect AI to something physical and expensive: proprietary data, wet-lab loops, therapeutic pipelines, pharma collaborations or clinical progress. The market is rewarding evidence that an AI platform can become a drug-development system, not just a strong model.
China has also become a much more serious funding hub. Deal count doubled from three to six and Asia-Pacific’s deal share rose sharply, even though Earendil and Syneron account for a large part of the regional dollar jump.
The clearest read is that AI drug discovery is better funded and more mature, but tougher at the entrance. There is much more money for companies that have already shown they can turn AI into credible drug-development progress, while startup formation itself has softened.

This market map, featured in our AI in drug discovery market deck, highlights top companies and startups in the AI in drug discovery market
All funding deals in the AI in drug discovery market over the last 24 months
Below is the table listing all the deals. You can find our methodology at the end of this page.
If you want a deeper understanding of the market and its current dynamics, get our report covering the AI In Drug Discovery Market.
| Company | Category | Date | Stage | Deal size | What they do | Region | Lead investors |
|---|---|---|---|---|---|---|---|
| AIPher (艾斐智药(北京)科技有限公司) | AI Lead Generation | September 2026 | Seed | ≈$14,900,000 | Builds AI-native drug-discovery models and agents for virtual screening, molecular discovery and preclinical candidate optimization. | Asia-Pacific | Xiang He Capital (襄禾资本) |
| Superluminal Medicines | De Novo Design | September 2026 | Series B | $60M | Uses AI/ML, protein dynamics and structural biology to design small-molecule therapeutics against difficult GPCR targets. | North America | BVF Partners, L.P. |
| Axiom Therapeutics Inc. | AI Lead Optimization | August 2026 | Unknown | $12.287M | Uses quantum-accurate physics and machine learning to design and optimize covalent small-molecule drug candidates. | Europe | Not disclosed |
| Aureka Biotechnologies | De Novo Design | August 2026 | Series B | $100M | Builds biological foundation models and closed-loop experimental systems for de novo therapeutic protein and antibody design. | North America | Granite Asia; Not disclosed (subsequent-tranche strategic lead) |
| Engine Biosciences Pte. Ltd. | AI Target Discovery | August 2026 | Series B | $5M | Uses machine learning and high-throughput experimental biology to identify and validate oncology drug targets and biomarkers. | Asia-Pacific | GV |
| Transcripta Bio | AI Drug Repurposing | July 2026 | Series A | $24M | Uses patient-derived transcriptomic signatures and machine learning to identify or repurpose compounds that reverse disease-state gene-expression patterns. | North America | Not disclosed |
| Sightera Biosciences | De Novo Design | July 2026 | Seed | ≈$3,430,000 | Uses patient-derived drug-response data and generative AI to design novel small-molecule therapies for oncology and fibrosis. | Europe | Entourage; Anacura; Qbic |
| Chai Discovery | De Novo Design | July 2026 | Series C | $400M | Builds AI foundation models and software that generate and optimize therapeutic molecules, including de novo antibodies and other biologics. | North America | Index Ventures |
| Xellar Biosystems | Preclinical Prediction AI | June 2026 | Series A | ≈$29,000,000 | Combines organ-on-chip experiments, high-content imaging and AI to predict human drug efficacy, safety and treatment response before clinical trials. | North America | Not disclosed |
| Graph Therapeutics | AI Target Discovery | June 2026 | Seed | $5M | Uses AI on live patient immune-cell perturbation and multi-omics data to identify therapeutic targets and biomarkers for inflammatory and immune-mediated diseases. | Europe | Daphni |
| Gero | AI Target Discovery | June 2026 | Unknown | $17M | Uses physics-first AI and longitudinal human data to identify therapeutic targets and design small molecules for aging and chronic diseases. | Asia-Pacific | Not disclosed |
| Protuoso Biosciences | De Novo Design | May 2026 | Seed | $9.5M | Uses AI-driven protein engineering, computational design and synthetic biology to design multifunctional MUXBODY biologic therapeutics. | North America | Taya Venture; Darwin Ventures |
| 20n Bio | AI Lead Generation | May 2026 | Seed | $7.5M | Combines computational methods, high-throughput cyclic-peptide screening and AI-enabled optimization to identify and optimize therapeutic peptide binders. | North America | Not disclosed |
| Isomorphic Labs | De Novo Design | May 2026 | Series B | $2.1B | Builds predictive and generative AI models in its drug-design engine to design small-molecule and biologic therapeutic candidates. | Europe | Thrive Capital |
| Galux | De Novo Design | May 2026 | Growth Equity | ≈$1,360,000 | Uses its GaluxDesign AI platform to design de novo antibodies and other therapeutic proteins from first principles. | Asia-Pacific | Not disclosed |
| Stoked Bio | AI Lead Generation | May 2026 | Seed | $2.5M | Uses a biology-first, AI-guided discovery process to identify small-molecule therapeutics for drug-resistant infections and cancer. | North America | Not disclosed |
| ALP Bio AG | Preclinical Prediction AI | April 2026 | Seed | $2.2M | Combines human immune organoids with generative AI to predict and mitigate immunogenicity and anti-drug-antibody risk during biologics development. | Europe | 42CAP |
| Aureka Biotechnologies | De Novo Design | April 2026 | Series A | $35M | Uses generative AI, biological foundation models and high-throughput functional screening to design novel therapeutic antibodies. | North America | HongShan |
| Fathom Therapeutics | De Novo Design | April 2026 | Series A | $47M | Combines atomic-scale molecular simulation, quantum chemistry and AI to design novel small-molecule drug candidates. | North America | Sutter Hill Ventures |
| 10x Science | Preclinical Prediction AI | April 2026 | Seed | $4.8M | Provides AI-native molecular characterization of protein therapeutics to assess and select drug candidates before clinical advancement. | North America | Initialized Capital |
| Biossil Inc. | AI Drug Repurposing | April 2026 | Unknown | $43M | Uses AI and large-language-model analysis of failed drug programs to identify compounds suitable for new patient populations or indications. | North America | Founders Fund; OpenAI |
| Helical | AI Target Discovery | April 2026 | Seed | $10M | Provides a virtual AI lab that operationalizes biological foundation models for reproducible in-silico therapeutic target discovery and related early-discovery decisions. | Europe | redalpine |
| Syneron Bio (元思生肽) | AI Lead Generation | March 2026 | Series B | $150M | Uses an AI-plus-high-throughput experimental platform to discover and optimize novel macrocyclic peptide drug candidates. | Asia-Pacific | Not disclosed (international life-science fund); Decheng Capital; CDH VGC |
| RyboDyn | AI Target Discovery | March 2026 | Seed | $10M | Uses AI-powered sequencing and discovery models to identify and validate previously hidden therapeutic targets in the dark transcriptome and proteome. | North America | Not disclosed |
| Earendil Labs | De Novo Design | March 2026 | Unknown | $787M | Uses AI-driven protein modeling and experimental validation to design and advance novel antibody and biologic drug candidates. | Asia-Pacific | Not disclosed |
| Ternary Therapeutics | De Novo Design | March 2026 | Seed | ≈$4,800,000 | Combines physics-informed AI, molecular simulation and rapid experimental feedback to deliberately design molecular-glue therapeutics. | Europe | daphni |
| Peak Perform Innova (Suzhou) Co., Ltd. (璞诺智药(苏州)生物科技有限公司) | AI Lead Generation | March 2026 | Seed | ≈$14,000,000 | Uses an AI platform centered on protein-protein interactions to identify druggable sites and generate small-molecule PPI inhibitors and degraders. | Asia-Pacific | Huagai Capital; BioTrack Capital |
| Antiverse | De Novo Design | March 2026 | Series A | $9.3M | Uses generative AI and wet-lab validation to design de novo therapeutic antibodies against difficult targets including GPCRs and ion channels. | Europe | Soulmates Ventures |
| Tamarind Bio | De Novo Design | February 2026 | Series A | $12M | Provides cloud infrastructure for running and scaling molecular-AI models used in protein and small-molecule design, docking, and simulation. | North America | Dimension Capital |
| Turbine | Preclinical Prediction AI | February 2026 | Series B | $25M | Provides AI virtual-cell and virtual-assay software that simulates biological experiments to prioritize drug-discovery hypotheses and predict preclinical outcomes. | Europe | Interactive Venture Partners |
| Peptris Technologies | De Novo Design | February 2026 | Series A | ≈$7,710,000 | Uses generative AI to design and optimize novel preclinical small molecules, alongside repurposing and candidate-rescue programs. | Asia-Pacific | IAN Alpha Fund; Speciale Invest |
| Pharmacelera | AI Lead Generation | February 2026 | Unknown | ≈$7,110,000 | Provides AI- and quantum-mechanics-based virtual screening and molecular-design software and services from hit identification through lead optimization. | Europe | Heran Partners |
| Sable Bio | Preclinical Prediction AI | February 2026 | Seed | $3.75M | Provides AI software that predicts target and candidate safety risks during drug discovery and preclinical assessment. | Europe | MMC Ventures |
| Galux | De Novo Design | February 2026 | Series B | $29M | Develops an AI- and physics-driven platform for de novo design of therapeutic proteins and antibodies. | Asia-Pacific | Not disclosed |
| Converge Bio | AI Lead Generation | January 2026 | Series A | $25M | Provides generative-AI systems for target discovery, antibody generation and design, and related drug-discovery workflows. | Middle East | Bessemer Venture Partners |
| Proxima | De Novo Design | January 2026 | Seed | $80M | Combines structural-proteomics data with generative AI to design proximity therapeutics including molecular glues and PROTAC-like molecules. | North America | DCVC |
| Boltz PBC | De Novo Design | January 2026 | Seed | $28M | Builds biomolecular AI models and agentic software for small-molecule hit discovery, structure/affinity prediction and protein or molecule design. | North America | Amplify Partners; Andreessen Horowitz (a16z); Zetta Venture Partners |
| Topos Bio | De Novo Design | January 2026 | Seed | $10.5M | Builds an AI-native platform that models intrinsically disordered proteins and uses generative chemistry to design small-molecule modulators. | North America | Boldstart Ventures; Threshold Ventures |
| PHIL RIVERS TECHNOLOGY Co., Ltd. (Beijing Zheyuan Technology Co., Ltd.) | AI Target Discovery | December 2025 | Series A | ≈$14,200,000 | Uses AI and computational disease models to discover novel therapeutic targets and mechanisms and generate proprietary drug assets. | Asia-Pacific | CAS Investment |
| Chai Discovery | De Novo Design | December 2025 | Series B | $130M | Builds generative AI models and molecular-design tools for de novo creation of therapeutic antibodies and other drug-like molecules. | North America | General Catalyst; Oak HC/FT |
| Syneron Bio (元思生肽) | AI Lead Generation | December 2025 | Series A | ≈$100,000,000 | Combines an AI drug-discovery engine with an intelligent high-throughput platform to design and advance macrocyclic peptide therapeutics. | Asia-Pacific | AstraZeneca; AZ-CICC Healthcare Investment Fund |
| PsiThera | AI Lead Generation | December 2025 | Series A | $47.5M | Uses molecular dynamics and AI through its QUAISAR platform to generate oral small-molecule candidates against validated immune and inflammatory targets. | North America | Samsara Biocapital; Lightstone Ventures |
| Relation Therapeutics | AI Target Discovery | December 2025 | Unknown | $26M | Uses a lab-in-the-loop AI and patient multi-omics platform to uncover causal disease genes and prioritize and refine therapeutic targets. | Europe | DCVC; NVentures; Magnetic Ventures |
| ChemLex | AI Lead Generation | December 2025 | Series A | $45M | Uses AI and autonomous high-throughput chemistry to design synthetic routes, optimize reactions, generate drug-like molecules, and accelerate small-molecule discovery. | Asia-Pacific | Granite Asia |
| immunitoAI | De Novo Design | November 2025 | Series A | $6.1M | Uses generative AI with in-house biological validation to design novel therapeutic antibodies with predefined drug properties. | Asia-Pacific | Ashish Kacholia |
| Arpeggio Biosciences, Inc. | AI Target Discovery | November 2025 | Series B | $20.037M | Combines high-throughput transcriptomics with machine learning to map drug-induced gene-expression changes and discover therapeutic targets and mechanisms. | North America | Not disclosed |
| AI Proteins | De Novo Design | November 2025 | Series A | $41.5M | Uses AI-enabled de novo protein design and high-throughput discovery to create purpose-built miniprotein therapeutics. | North America | Mission BioCapital; Santé Ventures |
| Model Medicines, Inc. | De Novo Design | November 2025 | Unknown | $3.26M | Uses AI to model chemistry and human biology to discover and optimize novel small-molecule therapeutics. | North America | Not disclosed |
| Scripta Therapeutics | AI Target Discovery | November 2025 | Seed | $12M | Combines AI, imaging and patient-derived biological models to identify disease-modifying therapeutic targets from transcriptional biology. | Europe | Oxford Science Enterprises; Apollo Health Ventures |
| TandemAI | AI Lead Optimization | November 2025 | Series A | $22M | Operates an integrated AI, physics and wet-lab platform spanning hit discovery through lead optimization and preclinical candidate selection. | North America | V-Capital; KHK Fund |
| Aureka Biotechnologies | De Novo Design | November 2025 | Series A | $23.2M | Uses generative AI, digital biology and high-throughput experimentation to design and optimize protein and antibody therapeutics. | North America | 5Y Capital; Qiming Venture Partners |
| Iambic Therapeutics | De Novo Design | November 2025 | Series B | >$100,000,000 | Uses physics-informed AI and automated experimentation to design and optimize small-molecule therapeutics through preclinical candidate selection. | North America | Not disclosed |
| Expedition Medicines | De Novo Design | October 2025 | Series A | $50M | Uses generative AI, quantum chemistry and chemoproteomic data to de novo design covalent small-molecule drugs against difficult protein targets. | North America | Flagship Pioneering |
| Bexorg | Preclinical Prediction AI | October 2025 | Series A | $23M | Combines whole-human brain experiments with AI models to generate clinically predictive preclinical data for CNS target validation and candidate assessment. | North America | Engine Ventures |
| Meta-Flux | Preclinical Prediction AI | October 2025 | Seed | ≈$2,080,000 | Provides an AI biologist that simulates multi-omic disease biology to predict drug behavior and support preclinical target, biomarker and go/no-go decisions. | Europe | Not disclosed |
| Tres Alchemix | Preclinical Prediction AI | September 2025 | Series A | $4.4M | Combines multi-omic data, AI and quantum-chemical calculations to predict therapeutic effects, adverse effects and drug behavior before candidate selection. | Asia-Pacific | DNX Ventures |
| DaltonTx | AI Lead Optimization | September 2025 | Seed | ≈$5,400,000 | Builds adaptive AI infrastructure that connects models, experimental data and scientific workflows to design and optimize therapeutic candidates. | Europe | redalpine; IQ Capital Partners |
| Manas AI | De Novo Design | September 2025 | Seed | $26M | Builds neuro-symbolic and generative AI models to identify disease targets and design new therapeutic molecules. | North America | Not disclosed |
| Enveda | AI Lead Generation | September 2025 | Series D+ | $150M | Uses machine learning and metabolomics to identify and characterize natural molecules and turn them into small-molecule drug candidates. | North America | Premji Invest |
| CHARM Therapeutics | De Novo Design | September 2025 | Series B | $80M | Uses structural AI and protein-ligand co-folding models to design novel small-molecule therapeutics against difficult targets. | Europe | New Enterprise Associates (NEA); SR One |
| Therna Biosciences | De Novo Design | August 2025 | Seed | $10M | Uses generative AI and RNA foundation models to design programmable RNA therapeutics with tailored stability, expression and tissue targeting. | North America | AIX Ventures; Pear VC; Fusion Fund |
| Ribopeutic / Libo (Hangzhou) Biotechnology Co., Ltd. | AI Target Discovery | August 2025 | Unknown | ≈$13,900,000 | Uses RNA language models and wet-lab validation to identify druggable RNA structures and discover and optimize RNA-targeting small molecules. | Asia-Pacific | Tasly Capital; Panlin Capital |
| Tahoe Therapeutics | Preclinical Prediction AI | August 2025 | Series A | $30M | Generates large-scale single-cell perturbation data and virtual-cell AI models to predict drug responses and support precision drug discovery. | North America | Amplify Partners |
| Chai Discovery | De Novo Design | August 2025 | Series A | $70M | Builds frontier AI models for molecular interaction prediction and fully de novo therapeutic and antibody design. | North America | Menlo Ventures |
| Synfini | AI Lead Optimization | July 2025 | Seed | $8.9M | Provides an AI-and-robotics drug-discovery foundry that designs, synthesizes, tests, and optimizes small-molecule candidates from target through preclinical lead. | North America | JSL Health Capital |
| Healx | AI Drug Repurposing | July 2025 | Series C | $2M | Uses AI to identify disease targets and repurpose existing compounds into treatments for rare and underserved conditions. | Europe | SCI Ventures |
| OutSee | AI Target Discovery | June 2025 | Seed | ≈$2,450,000 | Uses its Nomaly predictive-genomics AI to infer disease mechanisms directly from genome sequence and identify therapeutic targets. | Europe | Ahren Innovation Capital |
| Insilico Medicine | De Novo Design | June 2025 | Series D+ | $13M | Operates Pharma.AI for AI-based target discovery and generative molecular design alongside an internal pipeline of AI-discovered therapeutics. | North America | Value Partners Group; Shanghai Pudong Venture Investment Co., Ltd.; Shanghai Pudong Development (Group) Co., Ltd.; Wuxi Capital Group Co., Ltd.; Yixing State-owned Capital Investment Holding Group Co., Ltd. |
| Parallel Bio | Preclinical Prediction AI | June 2025 | Series A | $21M | Combines human immune organoids, AI and automation to predict preclinical drug safety and efficacy and identify disease targets using human biology. | North America | AIX Ventures |
| Kiin Bio | AI Lead Generation | June 2025 | Seed | $2.2M | Builds an AI-native virtual-scientist platform that coordinates drug-discovery research across biomedical data, computational chemistry, modelling and laboratory workflows. | Europe | b2venture |
| Sortera Bio Ltd | AI Lead Generation | June 2025 | Seed | ≈$10,200,000 | Uses high-throughput Deep Screening to identify therapeutic biologics and generate functional datasets for training AI models used in drug discovery. | Europe | Cambridge Innovation Capital |
| Vivodyne | Preclinical Prediction AI | May 2025 | Series A | $40M | Combines lab-grown human tissues, robotics and predictive AI to generate preclinical efficacy and safety data and prioritize therapeutic candidates. | North America | Khosla Ventures |
| ProteinQure | De Novo Design | May 2025 | Series A | $11M | Computationally designs peptide therapeutics and peptide-drug conjugates using machine learning, structural biology and atomic-level simulations. | North America | Tom Williams of Heron Rock Fund |
| iSiP | De Novo Design | May 2025 | Series A | ≈$4,500,000 | Uses an AI-, physics- and HPC-based drug-design engine to generate first-in-class small-molecule candidates and advance them through lead optimization. | Asia-Pacific | DNX Ventures |
| Inductive Bio | AI Lead Optimization | May 2025 | Series A | $25M | Provides machine-learning models and collaborative data infrastructure that predict ADMET properties to optimize small-molecule leads before synthesis. | North America | Obvious Ventures |
| Divamics Inc. (Suzhou Yulu Qianxing Biotechnology Co., Ltd.) | AI Lead Optimization | May 2025 | Series A | ≈$2,770,000 | Combines AI with multiscale molecular dynamics to screen, design and optimize drug molecules and model dynamic drug-target interactions. | Asia-Pacific | YuanBio Venture Capital (元生创投) |
| Denovo Sciences | De Novo Design | May 2025 | Unknown | $1M | Uses reinforcement learning and molecular simulation to generate novel small-molecule therapeutic candidates optimized for efficacy, safety and synthetic accessibility. | Asia-Pacific | Not disclosed |
| AMPLY Discovery | AI Target Discovery | May 2025 | Seed | $1.75M | Uses AI, sequencing and synthetic biology to identify therapeutic opportunities and develop precision biologic candidates for genetically influenced diseases. | Europe | Twin Path Ventures |
| Meddenovo Drug Design | De Novo Design | May 2025 | Seed | $450K | Develops AI- and physics-powered software for de novo design and optimization of cyclic-peptide drug candidates against difficult targets. | Europe | Not disclosed |
| Etiome | AI Target Discovery | April 2025 | Unknown | $50M | Uses its AI-powered Temporal Biodynamics platform to model disease progression and identify stage-specific therapeutic targets for preemptive medicines. | North America | Not disclosed |
| Isomorphic Labs | De Novo Design | March 2025 | Series A | $600M | Builds AI models and an integrated drug-design engine to predict biological interactions and design new therapeutic candidates. | Europe | Thrive Capital |
| Arpeggio Biosciences, Inc. | AI Target Discovery | March 2025 | Series A | $4.027M | Combines high-throughput transcriptomics with machine learning to map drug-induced gene networks and identify novel therapeutic targets. | North America | Not disclosed |
| Olio Labs, Inc. | AI Lead Optimization | March 2025 | Seed | $4.5M | Uses AI and machine learning to search vast therapeutic-combination spaces and identify combinations with improved predicted efficacy and tolerability. | North America | Boom Capital; Overwater Ventures |
| Insilico Medicine | De Novo Design | March 2025 | Series D+ | $110M | Develops generative-AI platforms for target discovery and molecular design alongside an internally generated therapeutic pipeline. | North America | Value Partners Group |
| Achira | Preclinical Prediction AI | February 2025 | Seed | $33M | Builds AI- and physics-based atomistic foundation simulation models for predicting molecular behavior and supporting drug design. | North America | Dimension |
| CircNova | De Novo Design | February 2025 | Seed | $3.3M | Uses its NovaEngine deep-learning platform to generate, analyze and design novel circular RNA molecules for therapeutic development. | North America | South Loop Ventures |
| InVirtuoLabs | De Novo Design | February 2025 | Seed | ≈$3,000,000 | Provides an AI-and-molecular-simulation virtual lab that generates, screens and optimizes drug candidates for pharmaceutical and biotech partners. | Europe | Not disclosed |
| Variational AI | AI Lead Generation | February 2025 | Seed | $5.5M | Provides Enki, a generative AI foundation model that helps biopharma teams discover and optimize small-molecule hits and leads. | North America | Nimbus Synergies |
| Latent Labs | De Novo Design | February 2025 | Seed | $10M | Provides generative AI foundation models that let biopharma partners design and optimize novel therapeutic proteins. | Europe | Not disclosed |
| Latent Labs | De Novo Design | February 2025 | Series A | $40M | Provides generative AI foundation models that let biopharma partners design and optimize novel therapeutic proteins. | Europe | Radical Ventures; Sofinnova Partners |
| Manas AI | De Novo Design | January 2025 | Seed | $24.6M | Uses proprietary AI models, generative computational chemistry and molecular docking to identify and design therapeutic candidates. | North America | General Catalyst; Reid Hoffman |
| Graph Therapeutics | AI Target Discovery | January 2025 | Seed | $3.1M | Combines patient-derived immune models, multimodal data and machine learning to identify and validate therapeutic targets for inflammatory and immunological diseases. | Europe | Squareone; Merantix Capital |
| Alivexis, Inc. | AI Lead Optimization | January 2025 | Series D+ | ≈$5,100,000 | Uses its ModBind computational platform, including molecular simulation, virtual screening and deep-learning models, to identify and optimize small-molecule drug candidates. | Asia-Pacific | JIC Venture Growth Investments Co., Ltd. |
| Pepticom | De Novo Design | January 2025 | Series A | $6.6M | Uses reinforcement learning, generative AI and biophysical modeling to design and optimize novel peptide and peptidomimetic drug candidates. | Middle East | Japan Israel High Tech Ventures 2 LP |
| Orbis Medicines | De Novo Design | January 2025 | Series A | ≈$93,800,000 | Runs the nGen lab-in-the-loop platform, combining automated macrocycle chemistry with machine learning to generate and optimize oral drug candidates. | Europe | New Enterprise Associates (NEA) |
| DeepLife | AI Target Discovery | December 2024 | Series A | $10M | Builds AI-powered digital twins of human cells from multi-omics data to identify therapeutic targets and simulate molecular interventions for preclinical drug discovery. | Europe | YZR Capital; Relyens Innovation Santé |
| AQEMIA | De Novo Design | December 2024 | Series A | $38M | Combines quantum-inspired atomic-scale physics with generative AI to design novel small-molecule drug candidates and advance preclinical discovery programs. | Europe | Cathay Innovation |
| deepmirror | AI Lead Optimization | December 2024 | Seed | $2.4M | Provides an AI drug-design platform that helps medicinal chemists generate, predict and prioritize small molecules for potency, safety and other optimization objectives. | Europe | Twinpath Ventures |
| Aizen Therapeutics | De Novo Design | November 2024 | Seed | $13M | Uses generative AI and structural biology to de novo design D-amino-acid Mirror Peptide therapeutics. | North America | Madrona |
| Enveda | AI Lead Generation | November 2024 | Series C | $130M | Uses machine learning, metabolomics and automated biology to discover drug candidates from natural chemical space. | North America | Kinnevik; FPV Ventures |
| Converge Bio | De Novo Design | November 2024 | Seed | $5.5M | Develops generative biological and chemical LLMs for designing and optimizing therapeutic proteins, antibodies and other drug candidates. | Middle East | TLV Partners |
| Modulo Bio, Inc. | AI Target Discovery | November 2024 | Unknown | $5.846M | Combines machine learning, multi-omics and human neuroimmune cell models to identify therapeutic targets and drug candidates for neurological disease. | North America | Not disclosed |
| AI|ffinity s.r.o. | AI Lead Generation | November 2024 | Seed | ≈$452,970 | Combines NMR, AI and cheminformatics to determine protein structures and design early drug candidates. | Europe | Garage Angels |
| Intelligent Medicine Original (AIMEDORIG; 智药元创医学技术(上海)有限公司) | De Novo Design | November 2024 | Seed | Not Disclosed | Uses generative AI to design and screen peptide and protein therapeutics from computational discovery through experimental validation. | Asia-Pacific | Not disclosed |
| Archon Biosciences, Inc. | De Novo Design | October 2024 | Seed | $20M | Uses AI-enabled computational protein design to create de novo antibody-cage biologics for therapeutically difficult targets. | North America | Madrona Ventures |
| Transition Bio, Inc. | AI Lead Optimization | October 2024 | Unknown | $13.3M | Combines condensate screening with machine learning and AI across target discovery, hit identification and small-molecule optimization. | North America | Not disclosed |
| Terray Therapeutics | AI Lead Optimization | October 2024 | Series B | $120M | Integrates high-throughput experimental chemistry with generative AI to identify and optimize small-molecule therapeutics for internal and partnered programs. | North America | Bedford Ridge Capital; NVentures |
| AIGEN Sciences Inc. | AI Lead Optimization | October 2024 | Series A | $8.8M | Uses proprietary AI to design and optimize small-molecule drug candidates through lead optimization and preclinical candidate selection. | Asia-Pacific | Not disclosed |
| Antiverse | De Novo Design | October 2024 | Seed | $4.6M | Uses generative AI and lab screening to design de novo therapeutic antibodies against difficult targets including GPCRs and ion channels. | Europe | i&i Biotech Fund I; Kadmos Capital |
| Shift Bioscience | AI Target Discovery | October 2024 | Seed | $16M | Uses a generative-AI virtual-cell platform and aging datasets to identify gene interventions and therapeutic targets that can safely rejuvenate cells. | Europe | BGF |
| Arda Therapeutics, Inc. | AI Target Discovery | October 2024 | Series A | $43M | Uses machine learning on single-cell datasets to identify disease-driving cell populations and druggable surface targets for targeted cell-depletion therapies. | North America | Andreessen Horowitz (a16z Bio + Health) |
| Integrated Biosciences | AI Lead Generation | October 2024 | Seed | $17.2M | Combines synthetic biology, proprietary biological data and machine learning to discover novel small-molecule therapeutics for age-related diseases. | North America | Sutter Hill Ventures |
| Generate:Biomedicines | De Novo Design | September 2024 | Growth Equity | $15M | Uses generative AI and high-throughput experimentation to design and optimize novel protein therapeutics. | North America | Not disclosed |

As this chart shows, and as featured in our AI in drug discovery market deck, search interest in AI drug discovery has grown rapidly
Is AI drug discovery funding actually stronger right now?
Yes: AI drug discovery funding is clearly stronger today on capital and round size, even though the number of companies getting funded has barely moved.
We counted 58 financings in the latest 12 months, up from 54, while the number of funded companies increased from 51 to 53. That is modest growth. The money changed much more dramatically: disclosed and estimated capital went from $1.95 billion to at least $4.84 billion, and the median round climbed from $11 million to $18.5 million.
The market can support much larger financings than it did a year ago. The average round more than doubled as well, although that figure is heavily pushed up by a handful of huge deals.
Breadth is the weaker part of the story. A 148% jump in capital alongside only 4% growth in funded companies means investors are concentrating much more money into each successful company. Today, AI drug discovery looks better funded and more mature, without looking like a broad startup boom.
| Metric | Current L12M | Previous 12M | Change |
|---|---|---|---|
| Deals | 58 | 54 | +7.4% |
| Unique funded companies | 53 | 51 | +3.9% |
| Total capital | ≥$4.84B | $1.95B | ≥+148% |
| Median round | $18.5M | $11.0M | +68% |
| Average round | $83.4M | $36.8M | +127% |
| Largest round | $2.10B | $600M | +250% |
| Early-stage deal share | 67.2% | 74.1% | -6.8 pp |
| Later-stage deal share | 20.7% | 16.7% | +4.0 pp |
Would AI drug discovery still look strong without the megadeals?
Yes. Even after stripping out the biggest AI drug discovery rounds, underlying funding is still up materially.
Removing every financing above $50 million leaves $831 million of current-period capital versus $596 million previously, an increase of about 40%. If we exclude rounds above $100 million instead, funding still rises from $840 million to $1.27 billion.
That makes the upswing much more credible. Isomorphic Labs' $2.1 billion Series B is obviously enormous, and Earendil Labs' $787 million financing disclosure and Chai Discovery's $400 million Series C push the headline much higher. Still, the market below those rounds has strengthened too.
Concentration has become extreme at the same time. The top three financings absorb nearly 68% of current capital, compared with 45% a year earlier. Average monthly funding jumped to roughly $403 million, while the median month reached only about $136 million. Deal activity itself stayed fairly steady throughout the year; the wild swings came from the size of a few financing events.
So two things are happening at once: normal rounds are getting larger, and the very top of the market has become much more winner-heavy.

This chart, featured in our AI in drug discovery market deck, shows annual venture capital investment in AI drug discovery startups
Are more AI drug discovery startups actually getting funded?
Barely. AI drug discovery is funding almost the same number of companies as a year ago, while fewer startups are entering the market through a first financing.
Unique funded companies increased from 51 to 53. Four additional deals across a full year also amount to fairly small growth. We are nowhere near the kind of expansion the headline dollar figure might suggest.
The bigger concern is at the entry point. First financings dropped from 16 to 12, and their share of all deals fell from 29.6% to 20.7%. The median first financing also moved down from $10 million to $7.45 million.
More capital is available today, but new companies are capturing less of it. Looking only at total funding would miss that deterioration in startup formation.
Are investors mostly backing the same AI drug discovery winners now?
Yes. The biggest structural change in AI drug discovery is the amount of money flowing to companies that have already raised before.
Follow-on deals increased from 38 to 45, and they attracted about $4.61 billion in the latest period, compared with $1.17 billion previously. The typical follow-on also became much larger, with the median rising from $13.15 million to $23.2 million.
Some of the beneficiaries are remarkably young. Chai Discovery, founded in 2024, went through a rapid sequence of large rounds and reached a $400 million Series C in 2026. Aureka Biotechnologies, founded in 2023, also completed several financings in quick succession and closed a $100 million Series B. The median age of all funded companies actually fell from roughly four years to three.
So an "existing winner" is not necessarily an old company. Often it is a young AI-native business that has already accumulated enough technical results, pharmaceutical relationships or pipeline progress to raise repeatedly.
| Metric | Current L12M | Previous 12M |
|---|---|---|
| First financings | 12 | 16 |
| First-financing share | 20.7% | 29.6% |
| Capital in first financings | $175M | $781M |
| Median first financing | $7.45M | $10.0M |
| Follow-on financings | 45 | 38 |
| Follow-on share | 77.6% | 70.4% |
| Capital in follow-ons | $4.61B | $1.17B |
| Median follow-on financing | $23.2M | $13.15M |

This chart, featured in our AI in drug discovery market deck, shows how Shrödinger is positioned in AI drug discovery
Why are AI drug discovery rounds getting so much bigger?
AI drug discovery rounds are getting bigger because the whole middle of the market has moved upward alongside the megadeals.
The clearest change appears in the round-size distribution. Deals below $5 million dropped from 29.6% of financings to 17.2%. At the same time, $20 million-to-$50 million rounds jumped from 18.5% to 31%.
A year ago, a much larger part of the market consisted of small experimental financings. These days, eight-figure rounds in the $20 million-to-$50 million range are far more common.
We can see that in companies such as AI Proteins with its $41.5 million Series A, Tahoe Therapeutics with $30 million, Turbine with $25 million and several other financings sitting well below the giant headline rounds. The middle is simply thicker now, which is why the median moved so sharply even after we account for outliers.
Is Series B where the AI drug discovery money is now?
Yes. Series B has become the main scaling point for AI drug discovery capital.
Series B represented just 3.7% of deals in the previous period. It now accounts for 17.2% and captures 56.2% of current capital. That is an unusually large change for a single financing stage.
Isomorphic Labs accounts for a huge part of those dollars, yet the Series B wave extends well beyond Isomorphic. Syneron Bio closed a $150 million Series B, Aureka raised $100 million, Superluminal Medicines raised $60 million, Turbine raised $25 million, and Arpeggio Biosciences recorded roughly $20 million.
Seed and Series A activity remain substantial by deal count, so early-stage investing is still alive. The difference is the amount of capital companies can access once they reach the next scaling phase.
Series D+ deals, meanwhile, disappeared from this year's sample. The center of gravity has shifted specifically toward B-stage companies building pipelines, expanding platforms and trying to prove that their technology can become a repeatable drug-development engine.
| Stage | Current deal share | Previous deal share | Current capital share |
|---|---|---|---|
| Seed | 34.5% | 42.6% | 5.3% |
| Series A | 32.8% | 31.5% | 11.7% |
| Series B | 17.2% | 3.7% | 56.2% |
| Series C | 1.7% | 3.7% | 8.3% |
| Series D+ | 0% | 7.4% | 0% |
| Growth Equity | 1.7% | 1.9% | ~0% |
| Unknown | 12.1% | 9.3% | 18.5% |

This chart, featured in our AI in drug discovery market deck, shows annual funding in AI drug discovery startups
Is de novo design really taking over AI drug discovery?
De novo design is dominating AI drug discovery dollars today, while its share of actual deals looks much less extreme.
We counted 26 current-period financings in de novo design. Deal share barely changed from the previous year, yet the category's share of capital surged to roughly 85%. Its median round also more than doubled to $28.5 million.
The size of Isomorphic's financing explains part of that gap, but plenty of other companies are raising serious money too. AI Proteins closed a $41.5 million Series A, Boltz launched with a $28 million seed round, Aureka closed a $100 million Series B, and Superluminal raised another $60 million.
What investors seem to like right now is the combination of generative design and a path toward actual therapeutics. The better-funded companies usually connect their models to proprietary experimental systems, molecule generation, drug programs or pharmaceutical partnerships.
Deal share is stable. Capital is piling in much faster.
Which AI drug discovery niches are actually gaining momentum?
AI lead generation is the cleanest breadth winner in AI drug discovery, while lead optimization has clearly cooled.
Lead generation increased from six deals to ten, and its median round rose from about $11.4 million to $20 million. Both activity and typical check size improved.
Preclinical prediction AI grew in a very different way. Deals doubled from four to eight, yet the median financing fell from $31.5 million to only $4.6 million. More companies are being tried, but investors are doing it with much smaller checks.
AI lead optimization went from nine financings to three, making it the clearest drop in company-level activity. Target discovery also lost some deal share, while drug repurposing remains a small corner of the market.
As seen above, de novo design has the largest capital pool. Lead generation gives us a cleaner read on broadening demand because its improvement does not depend on one or two billion-dollar financings.
| Category | Current deals | Deal-share change | Current median | Funding intensity |
|---|---|---|---|---|
| De Novo Design | 26 | +0.4 pp | $28.5M | 1.89x |
| AI Lead Generation | 10 | +6.1 pp | $20.0M | 0.50x |
| AI Target Discovery | 9 | -3.0 pp | $12.0M | 0.16x |
| Preclinical Prediction AI | 8 | +6.4 pp | $4.6M | 0.14x |
| AI Lead Optimization | 3 | -11.5 pp | $12.3M | 0.16x |
| AI Drug Repurposing | 2 | +1.6 pp | $33.5M | 0.40x |
| Market overall | 58 | — | $18.5M | 1.00x |

This chart, featured in our AI in drug discovery market deck, compares the main business model options for AI drug discovery biotech companies
Are AI drug discovery companies raising again faster now?
There is no convincing acceleration. The AI drug discovery companies we can track are actually taking a little longer to come back for another round.
For 18 current follow-on deals where we could reconstruct a previous financing from the same market history, the median gap was 13.6 months. The equivalent figure was 9.8 months for the previous period.
The old-period sample contains only eight usable companies, so we would not put much weight on the difference itself. The more interesting result is the size of the next check.
Current repeat raisers came back with a median financing around 2.01 times the size of their previous recorded round. The previous-period figure was only 1.16 times. Half of the current sample raised more than twice the prior amount.
Chai is the obvious example. It moved through roughly $70 million, then $130 million, then $400 million financings within a remarkably short period. The broader pattern is milder, but it points the same way: companies do not necessarily return faster, yet successful ones can come back for a much larger round.
Are investors getting pickier about AI drug discovery startups?
Yes. AI drug discovery investors look pickier at the entry point and far more willing to scale companies once they have proof.
The median first financing fell to $7.45 million, while the median follow-on moved above $23 million. That gap has widened sharply. Investors appear more cautious when a company first enters the funded market and much more aggressive once it survives that first test.
Investor breadth itself has held up reasonably well. After normalizing obvious name variants, we found roughly 60 unique disclosed lead investors in the latest period versus 54 previously, despite slightly worse lead-investor disclosure coverage. Only three lead investors appeared more than once in current deals.
So the concentration of capital does not seem to come from the exact same venture firms controlling every round. A fairly wide investor pool is choosing a narrow group of companies for very large commitments.
That is a tougher market for a brand-new startup and a very attractive one for a company that has already produced convincing evidence.

This chart, featured in our AI in drug discovery market deck, shows revenue breakdown by customer segment in the AI in drug discovery market
What proof do AI drug discovery companies need to raise big rounds now?
For the biggest AI drug discovery rounds today, investors increasingly want the model tied to real drug programs, experiments, partnerships or clinical progress.
Isomorphic Labs said its $2.1 billion financing would support the expansion of its AI drug-design engine, global scaling and movement of therapeutic programs toward the clinic. Earendil linked its $787 million financing disclosure to its AI R&D platform, team expansion and biologics pipeline.
Iambic raised more than $100 million after reporting human clinical data for IAM1363 and announcing a collaboration with Jazz Pharmaceuticals. Chai has built relationships with several major pharmaceutical groups while moving rapidly through successive rounds.
Aureka is another useful example of where the market is going. Its $100 million Series B was attached to biological foundation models and a closed-loop approach connecting AI with high-throughput experimental work. Superluminal's latest $60 million Series B is tied to moving its lead program toward the clinic.
We cannot turn those examples into a precise market-wide percentage because companies do not report milestones or use of funds in a standardized way. Still, the companies winning the largest rounds these days tend to show investors something beyond a promising algorithm.
Are pharma and tech companies putting more money into AI drug discovery?
Yes. Strategic capital is showing up more often in AI drug discovery, and the checks are much larger than they were a year ago.
Strategic-backed financings increased from roughly 22% to 28% of deals. Their median financing went from around $24 million to almost $54 million.
The names involved also show how AI drug discovery is moving closer to mainstream pharmaceutical R&D. AstraZeneca has backed Syneron Bio and other companies in the ecosystem. Eli Lilly and NVIDIA appear around several companies and partnerships. Merck-linked capital, Pfizer-linked investors and other pharmaceutical groups also show up across the market.
One of the clearest outside signals came when NVIDIA and Lilly announced that they would invest up to $1 billion over five years in a joint AI drug discovery lab. The plan connects AI models, compute, data generation and wet-lab experimentation inside one research system.
That kind of commitment helps explain the current venture pattern. Strategic companies increasingly see AI drug discovery as infrastructure they may use directly, rather than a distant technology to watch from the sidelines.

This chart, featured in our AI in drug discovery market deck, shows how AI drug discovery platform technology has evolved over time
Is China becoming a real AI drug discovery funding hub?
Yes. China has become much more important in AI drug discovery funding, although a few huge rounds still drive a large part of the dollar jump.
China went from three deals to six. Its share of market capital increased from less than 1% to roughly 22%.
Earendil is the biggest reason. The company disclosed $787 million in financing rounds, immediately making it one of the largest transactions in our entire dataset. Syneron Bio added close to $100 million across its Series A and A+ financing and later closed a $150 million Series B.
There is genuine breadth behind those large figures because deal count doubled as well. Across Asia-Pacific, deal share moved from 13% to 24.1%.
North America still accounts for almost half of current deals, so it remains the largest region by company activity. Europe continues to attract huge amounts of capital too, especially because of Isomorphic. The geographic story today is less about one region replacing another and more about China becoming a serious third pool of AI drug discovery financing.
What are AI drug discovery companies actually raising money to do now?
The biggest AI drug discovery rounds are increasingly paying for full drug-development systems: stronger models, proprietary data, wet-lab loops, pipelines, clinical work and pharma deployment.
Isomorphic is scaling both its AI engine and drug pipeline. Earendil is expanding its platform while advancing biologics. Iambic is funding additional therapeutic programs after reaching the clinic. Tahoe Therapeutics raised $30 million around the creation of a huge perturbation dataset intended to train virtual-cell models and support precision drug discovery.
Boltz offers another version of the same trend. Its $28 million seed round came alongside a platform built around real biology and chemistry workflows and a multi-year Pfizer partnership. The funding proposition increasingly combines software, proprietary science, experimental feedback and a route into pharmaceutical R&D.
A few years ago, a company could attract attention mainly around a novel AI capability. Today, the strongest financings increasingly come with an answer to the next question: what drugs, experiments or pharmaceutical workflows does that AI actually produce?
We still have to be careful with this conclusion because use-of-funds disclosure is uneven across companies. The direction is much clearer among the large winners than across every financing in the market.

In our AI in drug discovery market deck, we identify pain points entrepreneurs should prioritize
What really changed in AI drug discovery funding over the last 12 months?
AI drug discovery funding is stronger today, but the gains are concentrated around companies that have already shown they can turn AI into a serious drug-development platform.
The first major change is depth. Typical rounds are much larger, the $20 million-to-$50 million segment has expanded, and even an outlier-adjusted view shows meaningful funding growth. Investors are writing bigger checks across more than just the famous billion-dollar rounds.
The second change is who gets those checks. New-company formation has weakened while follow-on financing has become much more important. As pointed out above, first rounds are smaller and less frequent, whereas companies with existing funding histories can raise much larger amounts.
The third change is the Series B wave. This stage has become the main bridge between an interesting AI platform and a heavily financed drug-development company. That is where we now see some of the sharpest increases in both deal activity and capital.
The fourth change is where investors are placing their bets. De novo design absorbs most of the dollars, AI lead generation is gaining broader momentum, and lead optimization has lost a large amount of deal activity.
Finally, investors increasingly reward evidence that connects computation to the physical drug-development process. Pipelines, experimental loops, pharmaceutical collaborations and clinical progress appear repeatedly around the current winners.
The misleading headline would be that AI drug discovery funding simply exploded by 148%. The market has strengthened, but the better conclusion is narrower: far more money is available today for companies that have already convinced investors they can move from AI research toward actual medicines.
OUR METHODOLOGY
This analysis compares private fundraising in AI drug discovery across two consecutive 12-month periods: 20 September 2025 to 19 September 2026 for the current period, and 20 September 2024 to 19 September 2025 for the comparison period. We use deal count, funded-company count, disclosed and estimated capital, round size, stage, first versus follow-on financing, geography, investor type and company focus to judge how the market changed.
We built the dataset from company and investor announcements, regulatory and official records, established funding databases, and reputable financial and industry reporting. Important financing details such as dates, amounts, stages, investors and company descriptions were cross-checked when multiple credible sources were available.
Companies were included only when AI drug discovery was a central part of the business at the time of financing. Borderline companies were excluded rather than added simply because they used artificial intelligence somewhere in their research process.
Each genuine financing was treated as a separate deal and duplicate reporting of the same round was consolidated. Extensions, additional closes and multi-tranche rounds were reviewed individually. When a company disclosed only a cumulative amount or a lower bound such as "over $100 million," we kept that limitation instead of inventing a more precise figure.
Dates were based on the strongest evidence available for when a financing actually closed or occurred, which can differ from the announcement date. Sortera Bio is one example: its £7.5 million pre-seed was announced in 2025, but the company's own announcement says the financing closed in May 2024, so it sits outside the two comparison periods used here.
We recorded financing stages, lead investors, strategic investors, previous rounds, company milestones and use of funds only when public evidence supported them. The same rule applies to repeat-raise timing and milestone analysis, where disclosure is less standardized than deal size or financing date.
After building the dataset, we ran a separate quality-control pass focused on missing deals, period boundaries, duplicate transactions, company eligibility, financing structure and unusually large rounds. The broader research history contains 144 AI drug discovery financing records, with 58 qualifying deals in the current 12-month period and 54 in the previous one.
Key sources include Isomorphic Labs on its $2.1 billion Series B and expansion plans, Earendil Labs on its $787 million financing disclosure, Chai Discovery on its $400 million Series C and pharmaceutical collaborations, Iambic on its financing, clinical data and Jazz collaboration, NVIDIA and Eli Lilly on their planned AI drug discovery lab, Aureka Biotechnologies on its $100 million Series B, Syneron Bio on its $150 million Series B, AI Proteins on its $41.5 million Series A, Boltz on its $28 million seed round and Pfizer partnership, Turbine on its $25 million Series B, Tahoe Therapeutics on its $30 million financing and virtual-cell dataset, Superluminal Medicines on its $60 million Series B, and Sortera Bio on the actual closing date of its pre-seed financing.
Our rule throughout is simple: when the evidence is uncertain, the uncertainty stays visible. A slightly incomplete datapoint is more useful than a precise-looking number built on an unsupported assumption.

This chart, featured in our AI in drug discovery market deck, shows revenue breakdown by region across Europe, Asia, North America, Africa, and South America in the AI in drug discovery market