All the funding deals in the AI in drug discovery market
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The AI in drug discovery market is attracting major funding across molecular design, protein engineering, target discovery, drug safety, and automated laboratories.
We conducted deep research and collected 62 funding deals announced from Q1 2024 through Q2 2026.
We refresh this page very often so readers can follow new funding activity in the AI in drug discovery market.
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Insights
- The 62 AI in drug discovery market deals raised about $6.1 billion. The $2.1 billion Isomorphic Labs round alone represented more than one-third of this funding.
- Funding accelerated sharply in 2026. The 19 deals announced through Q2 2026 raised about $2.4 billion, already above the full-year totals for 2024 and 2025.
- Large rounds dominate the AI in drug discovery market. A small group of deals above $100 million supplied most of the capital collected in this research.
- Early-stage funding remains active. Several rounds were below $10 million, supporting specialized platforms for toxicology, genomics, peptides, molecular glues, and laboratory tools.
- Isomorphic Labs raised $600 million in 2025 and $2.1 billion in 2026, showing how capital is concentrating around established AI drug design platforms.
- Protein and antibody design became a major AI in drug discovery market theme, with funding for Profluent, Chai Discovery, AI Proteins, Galux, Antiverse, and other specialists.
- Automated chemistry also gained momentum. ChemLex, Excelsior Sciences, Medra, Onepot AI, Chemify, and Synfini combined AI with robotics or automated laboratory work.
- Several companies raised more than once during the period, including AQEMIA, Chai Discovery, Converge Bio, Enveda, Iambic Therapeutics, Isomorphic Labs, Manas AI, OutSee, and Profluent.
This chart, featured in our AI in drug discovery market deck, shows annual venture capital investment in AI drug discovery startups
Summary table of the funding deals for the AI in drug discovery market since 2024
We define the AI in drug discovery market as revenue from AI-enabled software and related services that materially support the identification and design of therapeutic candidates before human trials.
We include AI used for target identification/validation, hit/lead generation, lead optimization, de novo design, repurposing, and preclinical prediction/assessment (e.g., ADMET/tox).
We exclude AI primarily used for clinical trial operations, regulatory submissions, manufacturing, pharmacovigilance, or commercial/enterprise analytics not directly tied to discovery and preclinical candidate selection.
We focused exclusively on pure players, defined as companies with at least 70–80% of their business directly tied to the AI in drug discovery market.
Our analysis has been done at a global level with a minimum funding threshold of $300k.
You can also read our detailed analysis to understand how funding activity in the AI in drug discovery market has evolved recently.
If you want a longer-term view, we also have a study of how funding activity in the AI in drug discovery market has changed over the years.
Also, you should know that we have a dedicated page, updated weekly, with all the latest fundraising deals in the AI in drug discovery market.
| Name | What they do | Amount in $ | Quarter | Source(s) |
|---|---|---|---|---|
| Isomorphic Labs | Builds AI systems that design small molecules, biologics, and antibodies. | $2,100.0M | Q2 2026 | Isomorphic Labs, PR Newswire |
| Fathom Therapeutics | Uses quantum chemistry and AI to design small-molecule medicines. | $47.0M | Q2 2026 | PR Newswire |
| 10x Science | Uses AI to assess proteins and improve drug candidate selection. | $4.8M | Q2 2026 | PR Newswire |
| Helical | Provides a virtual AI lab for target discovery and therapeutic design. | $10.0M | Q2 2026 | Tech.eu, Axios |
| DeepCyte | Uses AI and single-cell data to predict drug toxicity. | $1.5M | Q2 2026 | PR Newswire |
| Generare | Uses AI and genome mining to find new drug-like molecules. | $23.0M | Q2 2026 | EU-Startups, TNW |
| RyboDyn | Uses AI to uncover hidden cancer targets in the dark proteome. | $10.0M | Q1 2026 | PR Newswire, GenomeWeb |
| Ternary Therapeutics | Uses AI and physics to discover molecular-glue medicines. | $4.5M | Q1 2026 | UKI2S, EU-Startups |
| Antiverse | Uses AI to design antibodies for difficult disease targets. | $9.3M | Q1 2026 | Business Wire |
| Tamarind Bio | Provides AI models and simulations for molecular discovery workflows. | $13.6M | Q1 2026 | Fenwick, GEN |
| Peptris | Uses AI to generate and evaluate preclinical drug candidates. | $7.7M | Q1 2026 | IAN Group |
| Pharmacelera | Combines quantum mechanics and AI for hit and lead discovery. | $6.5M | Q1 2026 | Pharmacelera, PR Newswire |
| Sable Bio | Uses AI to assess target safety and toxicity risks early. | $3.75M | Q1 2026 | Sable Bio |
| Galux | Uses AI and lab feedback to design proteins and antibodies. | $29.0M | Q1 2026 | Business Wire |
| Converge Bio | Uses generative AI for targets, antibodies, and drug discovery. | $25.0M | Q1 2026 | PR Newswire |
| Proxima | Builds AI infrastructure for molecular glues, PROTACs, and related medicines. | $80.0M | Q1 2026 | Business Wire |
| OutSee | Uses predictive genomics to find and prioritize drug targets. | $3.2M | Q1 2026 | Business Wire |
| Boltz | Builds open biomolecular AI models for molecular design and hit discovery. | $28.0M | Q1 2026 | Launch, GEN |
| Topos Bio | Builds AI tools for flexible proteins that are hard to target. | $10.5M | Q1 2026 | Press, HLTH |
| Chai Discovery | Builds AI tools for molecular design and new biologic medicines. | $130.0M | Q4 2025 | Business Wire |
| Medra | Combines AI reasoning, robotics, and lab work for drug discovery. | $52.0M | Q4 2025 | Business Wire |
| Excelsior Sciences | Combines AI and robotics for automated small-molecule discovery. | $70.0M | Q4 2025 | Excelsior Sciences |
| ChemLex | Builds self-driving chemistry labs for pharmaceutical research. | $45.0M | Q4 2025 | PR Newswire |
| Profluent | Builds AI models for genome editors, antibodies, enzymes, and proteins. | $106.0M | Q4 2025 | Business Wire |
| Onepot AI | Runs an AI-driven synthesis lab for small-molecule creation. | $13.0M | Q4 2025 | TechCrunch |
| Iambic Therapeutics | Uses physics and AI to discover small-molecule medicines. | $100.0M | Q4 2025 | Iambic Therapeutics |
| PsiThera | Combines AI, quantum chemistry, and simulations to discover medicines. | $47.5M | Q4 2025 | BioSpace |
| TandemAI | Combines AI, physics, and laboratory work for drug discovery. | $22.0M | Q4 2025 | TandemAI |
| Chemify | Combines AI, robotics, and computation to create new molecules. | $50.0M | Q4 2025 | Business Wire |
| Expedition Medicines | Uses generative chemistry to design medicines for difficult targets. | $50.0M | Q4 2025 | Flagship Pioneering |
| AI Proteins | Uses AI to design small therapeutic proteins from scratch. | $41.5M | Q4 2025 | AI Proteins |
| Enveda Biosciences | Uses AI and metabolomics to discover medicines from natural chemistry. | $150.0M | Q3 2025 | Business Wire |
| Manas AI | Uses AI models to run oncology drug discovery programs. | $26.0M | Q3 2025 | Gaebler |
| Synfini | Combines AI and automated synthesis for small-molecule discovery. | $8.9M | Q3 2025 | Synfini |
| Chai Discovery | Builds AI models for antibodies, proteins, and molecular design. | $70.0M | Q3 2025 | Business Wire |
| OutSee | Uses predictive genomics to expand therapeutic pipelines. | $2.3M | Q2 2025 | Business Wire |
| Kiin Bio | Builds virtual scientists that plan and analyze discovery experiments. | $2.2M | Q2 2025 | BioPharmaTrend |
| ProteinQure | Uses AI to design peptide medicines for cancer and other diseases. | $11.0M | Q2 2025 | ProteinQure |
| Inductive Bio | Predicts drug properties to improve preclinical candidate selection. | $25.0M | Q2 2025 | Inductive Bio |
| Variational AI | Builds generative AI models for small-molecule discovery and optimization. | $5.5M | Q1 2025 | Business Wire |
| Pepticom | Uses AI to design peptide-based drug candidates. | $6.6M | Q1 2025 | PR Newswire |
| Enveda Biosciences | Uses AI and metabolomics to discover medicines from nature. | $20.0M | Q1 2025 | Business Wire |
| InVirtuoLabs | Uses generative AI and simulations to identify and optimize drugs. | $3.1M | Q1 2025 | EU-Startups |
| Latent Labs | Builds AI models for protein generation and optimization. | $50.0M | Q1 2025 | Latent Labs |
| Manas AI | Uses AI to discover treatments for cancer. | $24.6M | Q1 2025 | TechCrunch |
| Isomorphic Labs | Builds AI models for structure-based drug design. | $600.0M | Q1 2025 | Isomorphic Labs |
| AQEMIA | Uses physics and generative AI to design small-molecule drugs. | $38.0M | Q4 2024 | Business Wire |
| Orakl Oncology | Uses patient avatars to predict cancer drug response. | $11.6M | Q4 2024 | EU-Startups |
| Converge Bio | Builds generative AI models for targets and drug discovery. | $5.5M | Q4 2024 | PR Newswire |
| Enveda | Uses AI and metabolomics to discover drugs from natural chemistry. | $130.0M | Q4 2024 | Business Wire |
| Archon Biosciences | Uses AI to design therapeutic proteins called Antibody Cages. | $20.0M | Q4 2024 | GeekWire |
| Healx | Uses AI to discover and repurpose treatments for rare diseases. | $47.0M | Q3 2024 | Healx |
| Talus Bio | Uses AI and proteomics to discover transcription-factor medicines. | $11.2M | Q3 2024 | Talus Bio |
| Noetik | Uses machine learning and spatial biology to discover cancer treatments. | $40.0M | Q3 2024 | Business Wire |
| LabGenius | Uses machine learning and automation to improve therapeutic antibodies. | $44.5M | Q2 2024 | LabGenius |
| Iambic Therapeutics | Uses AI to design small-molecule cancer drugs. | $50.0M | Q2 2024 | Iambic |
| Yoneda Labs | Builds AI models that predict and improve chemical reactions. | $4.0M | Q2 2024 | Business Wire |
| Xaira Therapeutics | Builds an AI platform for drug discovery and development. | $1,000.0M | Q2 2024 | Business Wire |
| Profluent | Builds generative AI models for proteins and gene editing. | $35.0M | Q1 2024 | Business Wire |
| Bioptimus | Builds foundation models from many types of biological data. | $35.0M | Q1 2024 | Bioptimus |
| Relation Therapeutics | Combines computational and experimental biology to find drug targets. | $35.0M | Q1 2024 | DCVC |
| AQEMIA | Uses physics and generative AI to design small-molecule drugs. | $32.4M | Q1 2024 | BizWire |
This market map, featured in our AI in drug discovery market deck, highlights top companies and startups in the AI in drug discovery market
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