All the funding deals in the AI in drug discovery market
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The AI in drug discovery market is attracting large funding rounds because investors see AI as a faster way to find, design, and test new drug candidates before human trials.
We conducted deep research and collected 62 funding deals for the AI in drug discovery market between 2024 and Q2 2026.
We refresh this page very often so readers can track the newest AI in drug discovery market funding activity.
And if you want to better understand this new industry, you should get our beautiful slides covering the AI in drug discovery market.
Insights
- The AI in drug discovery market had 62 funding deals since 2024, showing that investor interest is broad and not limited to one or two famous companies.
- Three very large AI in drug discovery market rounds shaped the dataset: Xaira raised $1.0 billion, Isomorphic Labs raised $600 million, and Insilico Medicine listed with $293 million.
- The AI in drug discovery market is moving beyond software only. Medra, Chemify, Synfini, and Onepot AI all combine AI with lab automation or chemistry execution.
- Protein design is becoming a clear funding theme in the AI in drug discovery market, with Profluent, Chai Discovery, Galux, Latent Labs, and AI Proteins all raising capital.
- Several AI in drug discovery market companies raised more than once, including AQEMIA, Lila Sciences, Insilico Medicine, Chai Discovery, Profluent, Enveda, and OutSee.
- The AI in drug discovery market is global. The deal list includes companies from the United States, Europe, Israel, Singapore, India, and the United Kingdom.
- Small rounds still matter in the AI in drug discovery market. Deals below $10 million often fund narrow platforms, such as safety prediction, peptide discovery, or target discovery.
- The AI in drug discovery market is not only about finding targets. Many funded companies now focus on molecule design, toxicity prediction, synthesis, and preclinical decision support.
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) |
|---|---|---|---|---|
| Fathom Therapeutics | Uses quantum chemistry and AI to design small-molecule medicines. | $47.0M | Q2 2026 | PR Newswire |
| 10x Science | Uses AI to characterize proteins and evaluate candidate molecules. | $4.8M | Q2 2026 | PR Newswire |
| Helical | Turns biological foundation models into in-silico discovery workflows. | $10.0M | Q2 2026 | Tech.eu |
| DeepCyte | Uses single-cell AI tools to detect and predict drug toxicity. | $1.5M | Q2 2026 | PR Newswire |
| Generare | Uses AI to turn microbial genomes into novel molecules. | $23.0M | Q2 2026 | EU-Startups |
| Ternary Therapeutics | Uses AI and lab feedback to design molecular glue drugs. | $4.5M | Q1 2026 | EU-Startups |
| Antiverse | Uses AI and lab feedback to design antibodies for difficult targets. | $9.3M | Q1 2026 | Business Wire |
| Tamarind Bio | Provides infrastructure for molecular AI inference and simulation models. | $13.6M | Q1 2026 | Tamarind Bio |
| Pharmacelera | Uses quantum mechanics and AI to find new molecules. | $6.5M | Q1 2026 | PR Newswire |
| Peptris | Uses AI to advance drug programs toward clinical development. | $8.4M | Q1 2026 | IAN Group |
| Sable Bio | Uses AI to assess early toxicity and safety risk. | $3.4M | Q1 2026 | EU-Startups |
| Galux | Uses AI to design protein therapeutics with better developability. | $29.0M | Q1 2026 | Business Wire |
| Converge Bio | Builds generative AI tools for targets, antibodies, and proteins. | $25.0M | Q1 2026 | PR Newswire |
| Proxima | Uses AI to develop proximity-based medicines, including molecular glues. | $80.0M | Q1 2026 | Business Wire |
| OutSee | Uses predictive genomics for target discovery and candidate generation. | $3.2M | Q1 2026 | UKBN |
| Boltz | Builds open biomolecular AI models for molecule and protein design. | $28.0M | Q1 2026 | Launch Announcement |
| Topos Bio | Uses foundation models to drug intrinsically disordered proteins. | $10.5M | Q1 2026 | Press Release |
| Chai Discovery | Builds AI tools for antibody design and broader molecular discovery. | $130.0M | Q4 2025 | Source |
| Excelsior Sciences | Uses AI and robotics to discover small-molecule drugs with machine-suitable chemistry. | $70.0M | Q4 2025 | Source |
| ChemLex | Builds a self-driving lab for AI-led chemical and drug discovery. | $45.0M | Q4 2025 | Source |
| Insilico Medicine | Uses generative AI for target discovery, molecule design, and pipeline development. | $293.0M | Q4 2025 | Source |
| Lila Sciences | Builds AI science labs for life sciences, chemistry, and therapeutics discovery. | $115.0M | Q4 2025 | Source |
| Medra | Combines AI algorithms and robotic execution for drug discovery experiments. | $52.0M | Q4 2025 | Source |
| PsiThera | Uses AI and physics tools to design oral drugs for immune targets. | $47.5M | Q4 2025 | Source |
| AI Proteins | Designs de novo miniprotein therapeutics with AI. | $41.5M | Q4 2025 | Source |
| Profluent | Builds frontier AI models for protein design and programmable biology. | $106.0M | Q4 2025 | Source |
| TandemAI | Combines AI, physics computation, and wet-lab work for drug discovery. | $22.0M | Q4 2025 | Source |
| Iambic Therapeutics | Uses physics-informed AI to design small-molecule drugs. | $100.0M | Q4 2025 | Source |
| Onepot AI | Uses AI and automation to plan and run small-molecule synthesis. | $13.0M | Q4 2025 | Source |
| Chemify | Uses AI, robotics, and digital chemistry for molecule design and synthesis. | $50.0M | Q4 2025 | Source |
| Expedition Medicines | Uses generative covalent chemistry to drug hard-to-treat targets. | $50.0M | Q4 2025 | Source |
| Lila Sciences | Builds AI science labs for life sciences, chemistry, and therapeutics discovery. | $235.0M | Q3 2025 | Source |
| Enveda Biosciences | Uses AI to discover medicines from natural-product chemistry. | $150.0M | Q3 2025 | Source |
| Chai Discovery | Builds AI models for molecular interaction prediction and biologics design. | $70.0M | Q3 2025 | Source |
| Synfini | Automates molecular design and synthesis for small-molecule drug discovery. | $8.9M | Q3 2025 | Source |
| Inductive Bio | Builds AI models for small-molecule ADMET and property prediction. | $25.0M | Q2 2025 | Source |
| ProteinQure | Designs peptide therapeutics with machine learning, structural biology, and simulations. | $11.0M | Q2 2025 | Source |
| OutSee | Uses predictive genomics for CNS and rare-disease target discovery. | $2.3M | Q2 2025 | Source |
| Kiin Bio | Builds an AI virtual scientist for drug discovery and lab work. | $2.2M | Q2 2025 | Source |
| Insilico Medicine | Uses generative AI for target discovery, molecule design, and pipeline development. | $13.0M | Q2 2025 | Source |
| Variational AI | Builds foundation models for small-molecule discovery and lead optimization. | $5.5M | Q1 2025 | Source |
| Latent Labs | Uses generative AI for protein design and antibody optimization. | $50.0M | Q1 2025 | Source |
| Manas AI | Uses AI to discover oncology and rare-disease medicines. | $24.6M | Q1 2025 | Source |
| Bioptimus | Builds biology foundation models for medical and biotech discovery. | $41.0M | Q1 2025 | Source |
| Pepticom | Uses AI to discover peptide therapeutics. | $6.6M | Q1 2025 | Source |
| Isomorphic Labs | Uses AlphaFold-based AI to design drugs and advance therapeutic programs. | $600.0M | Q1 2025 | Source |
| Insilico Medicine | Uses generative AI for target discovery, molecule design, and pipeline development. | $110.0M | Q1 2025 | Source |
| Lila Sciences | Builds AI science labs for life sciences, chemistry, and therapeutics discovery. | $200.0M | Q1 2025 | Source |
| AQEMIA | Uses generative AI and physics to invent and advance drug candidates. | $38.0m | Q4 2024 | BusinessWire |
| Enveda | Uses AI to identify drug candidates from natural-product chemistry. | $130.0m | Q4 2024 | Bloomberg |
| Converge Bio | Builds generative AI models for drug discovery across biological data types. | $5.5m | Q4 2024 | PR Newswire |
| Archon Biosciences | Uses computational protein design to create new therapeutic protein structures. | $20.0m | Q4 2024 | GeekWire |
| Noetik | Uses machine learning and spatial biology to discover precision cancer therapies. | $40.0m | Q3 2024 | BusinessWire |
| Talus Bio | Uses AI and proteomics to find transcription-factor drug targets. | $11.2m | Q3 2024 | Talus Bio |
| Healx | Uses AI to discover and repurpose rare-disease treatments. | $47.0m | Q3 2024 | Healx |
| Iambic Therapeutics | Uses AI to design and advance small-molecule drugs. | $50.0m | Q2 2024 | Life Sciences USA |
| LabGenius | Uses machine learning and automation to design therapeutic antibodies. | $44.5m | Q2 2024 | LabGenius |
| Yoneda Labs | Builds foundation models for chemists working in drug discovery. | $4.0m | Q2 2024 | BusinessWire |
| Xaira Therapeutics | Builds an AI-powered platform for drug discovery and product development. | $1,000.0m | Q2 2024 | BusinessWire |
| Profluent | Builds AI models for biomedicine, with an initial focus on gene editing. | $35.0m | Q1 2024 | BusinessWire |
| Relation Therapeutics | Uses machine learning to find disease biology and drug targets. | $35.0m | Q1 2024 | Axios |
| Bioptimus | Builds biology foundation models for research and drug discovery. | $35.0m | Q1 2024 | Bioptimus |
| AQEMIA | Uses generative AI and physics to design small-molecule drug candidates. | $32.4m | Q1 2024 | Observer News Enterprise |
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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