All the funding deals in the AI in drug discovery market
Last updated: 18 February 2026
In our AI in drug discovery market deck, you will find everything you need to understand the market
This page lists every significant funding deal we could find in the AI in drug discovery market since 2023.
In total, we tracked 83 funding deals, covering seed rounds to billion-dollar raises across the full spectrum of AI-driven drug discovery startups worldwide.
We refresh this page every quarter to keep it current and reliable.
And if you want to better understand this new industry, you should get our beautiful slides covering the AI in drug discovery market.
In our AI in drug discovery market deck, we show you long-term trends so you can make better decisions
Summary table of the funding deals for the AI in drug discovery market since 2023
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) |
|---|---|---|---|---|
| Insilico Medicine | AI drug discovery platform for target discovery, molecule design, and clinical trial prediction. | $293M | Q4 2025 | PRNewswire, Fierce Biotech |
| Chai Discovery | Frontier AI models for de novo antibody and protein design using generative models. | $130M | Q4 2025 | TechCrunch, BusinessWire |
| Lila Sciences | Autonomous AI research labs for scientific discovery and drug development. | $115M | Q4 2025 | Lila.ai, Fierce Biotech |
| Profluent | Frontier AI models for protein design, including AI-designed CRISPR genome editors. | $106M | Q4 2025 | BusinessWire, SiliconANGLE |
| Iambic Therapeutics | AI-driven discovery platform integrating physics and AI for small molecule drug design. | $100M+ | Q4 2025 | Fierce Biotech, BusinessWire |
| Excelsior Sciences | AI and robotics for small-molecule drug discovery using smart building blocks. | $70M | Q4 2025 | C&EN, BusinessWire |
| Medra | Physical AI Scientist platform combining AI-driven reasoning and robotic execution for drug discovery. | $52M | Q4 2025 | Bloomberg, BusinessWire |
| Expedition Medicines | AI-powered generative covalent chemistry for drugs against undruggable protein targets. | $50M | Q4 2025 | PRNewswire, BioPharma Dive |
| Chemify | AI, robotics, and chemistry for automated small molecule design and synthesis. | $50M+ | Q4 2025 | C&EN, BusinessWire |
| PsiThera | Quantum chemistry, AI, and supercomputing platform for small molecule drug discovery. | $47.5M | Q4 2025 | BioSpace, BioPharma Dive |
| ChemLex | AI-powered automated chemical synthesis services with high-throughput robotic automation. | $45M | Q4 2025 | PRNewswire, C&EN |
| AI Proteins | AI-designed de novo miniprotein therapeutics for stable, specific protein drugs. | $41.5M | Q4 2025 | BusinessWire, BioSpace |
| Onepot AI | AI-driven small molecule synthesis lab for challenging drug molecules. | $13M | Q4 2025 | TechCrunch |
| Lila Sciences | Autonomous AI-driven research labs for scaling scientific discovery and drug development. | $235M | Q3 2025 | Fierce Biotech |
| Enveda Biosciences | AI-powered natural product drug discovery advancing clinical programs. | $150M | Q3 2025 | BusinessWire, Fierce Biotech |
| Chai Discovery | Frontier AI models for zero-shot biologics design and protein structure prediction. | $70M | Q3 2025 | TechCrunch, BusinessWire |
| Manas AI | AI-driven cancer drug discovery using neuro-symbolic AI and generative chemistry. | $26M | Q3 2025 | Crunchbase |
| Synfini | AI Cloud Foundry platform for automated molecular design and small molecule discovery. | $8.9M | Q3 2025 | GlobeNewswire |
| Inductive Bio | AI platform for ADMET property prediction using a data consortium model. | $25M | Q2 2025 | Inductive Bio |
| ProteinQure | Computational platform for AI-designed peptide therapeutics in oncology. | $11M | Q2 2025 | BusinessWire, BetaKit |
| Outsee | AI-powered predictive genomics for drug target discovery, focusing on CNS and rare diseases. | $2.3M | Q2 2025 | Tech Funding News, Yahoo Finance |
| Kiin Bio | AI-native platform with autonomous AI agents for drug discovery and wet-lab execution. | $2.2M | Q2 2025 | EU-Startups, UK Tech News |
| Isomorphic Labs | Frontier AI models for drug design using AlphaFold-based protein structure prediction. | $600M | Q1 2025 | Isomorphic Labs, TechCrunch |
| Lila Sciences | AI-enabled autonomous platform and robotic labs for end-to-end drug development. | $200M | Q1 2025 | Lila.ai, BioPharma Dive |
| Insilico Medicine | AI-driven end-to-end drug discovery for target identification and molecular design. | $123M | Q1 2025 | PRNewswire, Fierce Biotech |
| Latent Labs | Generative AI for de novo protein design and antibody optimization. | $50M | Q1 2025 | PharmExec, Labiotech |
| Atomwise | Deep learning for structure-based small molecule drug discovery and screening. | $44.3M | Q1 2025 | CB Insights, Tracxn |
| Bioptimus | Universal AI foundation models for biology integrating multi-modal biological data. | $41M | Q1 2025 | Pharmaphorum, Sifted, Tech Funding News |
| Manas AI | End-to-end AI-driven drug development focused on oncology using generative AI. | $24.6M | Q1 2025 | PYMNTS, TechCrunch |
| Enveda Biosciences | AI-powered natural product drug discovery backed by Sanofi to advance clinical trials. | $20M | Q1 2025 | BioSpace |
| Pepticom | AI-driven peptide therapeutics using reinforcement learning and computational chemistry. | $6.6M | Q1 2025 | PRNewswire, Hit Consultant |
| Variational AI | Foundation model for small molecule drug discovery and lead optimization. | $5.5M | Q1 2025 | Variational AI |
| InVirtuoLabs | Generative AI and molecular simulations for drug discovery, focusing on nuclear receptors. | $3.1M | Q1 2025 | EU-Startups, Swiss Biotech |
| Enveda Biosciences | AI platform translating nature's chemistry into new medicines using metabolomics and ML. | $130M | Q4 2024 | BusinessWire, FierceBiotech, GEN |
| Terray Therapeutics | AI-powered small molecule drug discovery using ultra-high throughput experimentation. | $120M | Q4 2024 | Terray, BusinessWire |
| Cradle | Generative AI platform for protein engineering and design for therapeutics. | $73M | Q4 2024 | Cradle, Silicon Canals, European Biotechnology |
| Aqemia | AI-powered de novo small molecule drug design and optimization platform. | $38M | Q4 2024 | Cathay Capital |
| Superluminal Medicines | Generative biology and chemistry platform for small molecule drugs targeting GPCRs. | $120M | Q3 2024 | Superluminal, BiopharmaTrend |
| Noetik | AI-native biotech using spatial omics and ML for precision cancer drug discovery. | $40M | Q3 2024 | BusinessWire, Finsmes |
| Chai Discovery | Frontier AI models for molecular structure prediction and antibody design. | $30M | Q3 2024 | Tracxn, BiopharmaTrend |
| Draupnir Bio | AI-driven targeted protein degradation platform for cardiovascular drug discovery. | $13.1M | Q3 2024 | Sifted, Labiotech |
| Xaira Therapeutics | Generative AI and ML platform for protein design and biologics drug discovery. | $1,000M | Q2 2024 | TechCrunch, FierceBiotech, C&EN |
| EvolutionaryScale | Frontier AI research lab developing large language models for de novo protein design. | $142M | Q2 2024 | TechCrunch, Fortune, C&EN |
| METiS Pharmaceuticals | AI-driven drug formulation and delivery optimization for improved drug properties. | $100M | Q2 2024 | XtalPi |
| Iambic Therapeutics | AI-driven oncology drug discovery and clinical development using protein structure prediction. | $50M | Q2 2024 | Iambic, WSGR |
| LabGenius | ML-driven antibody discovery using automation and synthetic biology for solid tumors. | $44.5M | Q2 2024 | Sifted, LabGenius, Tech.eu |
| Bioptimus | Universal AI foundation model for biology integrating multiscale biological data. | $35M | Q1 2024 | TechCrunch, Sifted |
| Relation Therapeutics | Lab-in-the-loop platform using multi-omics and ML for novel therapeutic target discovery. | $35M | Q1 2024 | GlobeNewswire, DCVC |
| Asgard Therapeutics | AI-driven cell reprogramming for cancer immunotherapies. | $32.5M | Q1 2024 | Sifted, Labiotech |
| Aqemia | AI-powered platform for generative small molecule drug design and optimization. | $32.4M | Q1 2024 | BusinessWire, Pharmaceutical Technology |
| Orbis Medicines | AI and computational approaches to accelerate therapeutic drug discovery. | $28.1M | Q1 2024 | Sifted |
| Converge Bio | AI platform for target identification, antibody design, and protein optimization. | $5.5M | 2024 | TechCrunch |
| Intrepid Labs | AI and robotics platform for drug formulation optimization using autonomous labs. | $4M | 2024 | C&EN, Drug Discovery Trends |
| Iambic Therapeutics | Physics-informed generative AI platform for novel small molecule drug discovery. | $100M | Q4 2023 | Iambic, BusinessWire |
| Totus Medicines | AI-powered covalent small molecule drug discovery for undruggable protein targets. | $66M | Q4 2023 | PRNewswire |
| Deep Apple Therapeutics | AI and cryo-EM platform for structure-based drug discovery and GPCR virtual screening. | $52M | Q4 2023 | PRNewswire |
| Unnatural Products | AI-enhanced platform for synthetic macrocyclic peptide therapeutics targeting intracellular targets. | $32M | Q4 2023 | GlobeNewswire |
| Engine Biosciences | AI and combinatorial genetics for precision oncology drug discovery. | $27M | Q4 2023 | BusinessWire, TechNode |
| Cradle | Generative AI for protein engineering to accelerate therapeutic development. | $24M | Q4 2023 | Cradle |
| Gero AI | Physics-guided AI for drug discovery targeting aging and chronic diseases. | $6M | Q4 2023 | BusinessWire, Longevity Technology |
| Kuano | Quantum simulation and AI platform for enzyme inhibitor drug design. | >$2M | Q4 2023 | BiopharmaTrend |
| Peptris Technologies | AI/ML platform for small molecule and peptide drug discovery for undruggable targets. | $1M | Q4 2023 | Business Standard |
| Terray Therapeutics | AI-driven small molecule drug discovery using ultra-high throughput experimentation. | Undisclosed | Q4 2023 | PRNewswire |
| Generate:Biomedicines | Generative AI platform for de novo design of protein therapeutics like antibodies. | $273M | Q3 2023 | Generate:Biomedicines, FierceBiotech |
| Genesis Therapeutics | Generative and predictive AI for small molecule drug design using graph neural networks. | $200M | Q3 2023 | BusinessWire, BioPharma Dive |
| Evozyne | Generative AI-powered protein drug discovery for novel enzymes and antibodies. | $81M | Q3 2023 | BusinessWire |
| Causaly | AI platform using knowledge graphs and NLP to automate biomedical literature analysis. | $60M | Q3 2023 | VentureBeat, TechCrunch |
| Recursion Pharmaceuticals | AI-driven platform combining biology, chemistry, and petabyte-scale data for drug discovery. | $50M | Q3 2023 | Recursion IR, CNBC |
| Chemify | AI-driven chemistry and robotics for automated small molecule synthesis. | $43M | Q3 2023 | C&EN |
| A-Alpha Bio | AI and high-throughput platform for predicting protein-protein interactions for therapeutics. | $22.4M | Q3 2023 | PRWeb, GeekWire |
| Olio Labs | AI platform for designing combination therapeutics targeting multiple proteins. | $4.5M | Q3 2023 | Y Combinator |
| Nanograb | AI platform for generating optimal binder combinations for targeted drug delivery. | $0.5M | Q3 2023 | Y Combinator |
| Enveda Biosciences | AI-powered metabolomics platform for discovering therapeutics from natural products. | $51M | Q2 2023 | BusinessWire |
| MultiOmic Health | AI-enabled multi-omics platform for precision therapeutics in metabolic diseases. | $6.2M | Q2 2023 | BusinessWire |
| Turbine AI | Simulation-based AI platform for oncology drug discovery and biomarker identification. | $6M | Q2 2023 | EU-Startups |
| CHARM Therapeutics | 3D deep learning platform for protein-ligand co-folding and oncology drug design. | Undisclosed | Q2 2023 | BusinessWire, Pharmaceutical Technology |
| MQS (Molecular Quantum Solutions) | Quantum chemistry and AI platform for molecular property and ADMET predictions. | $0.65M | Q2 2023 | BiopharmaTrend |
| Insilico Medicine | Generative AI end-to-end drug discovery for target identification and molecular design. | $115M | Q1 2023 | EurekAlert, Bioengineer |
| Atomic AI | AI-powered RNA structure prediction for small molecule drug discovery. | $35M | Q1 2023 | BusinessWire, Finsmes |
| TandemAI | AI-driven computational and wet lab platform for integrated drug discovery. | $35M | Q1 2023 | TandemAI, Finsmes |
| Iktos | Generative AI for de novo small molecule design, retrosynthesis, and automated chemistry. | $16.7M | Q1 2023 | Tech.eu, Labiotech |
| Profluent Bio | AI-first protein design company using large language models for novel functional proteins. | $9M | Q1 2023 | Profluent, Tracxn |
| Antiverse | AI-powered computational antibody discovery for de novo antibody design. | $3M | Q1 2023 | BusinessWire, Development Bank of Wales |
In our AI in drug discovery market deck, we will give you useful market maps and grids
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