What are the most valued startups in the AI in drug discovery market?

Last updated: 7 September 2026

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market research pitch 2026 statistics AI in drug discovery market

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AI in drug discovery has become a large and diverse market, spanning foundation models, molecular design, protein engineering, target discovery, computational biology and AI-enabled therapeutics.

This page tracks the most valuable companies in the AI in drug discovery market and ranks them using their latest reported or estimated valuations.

We update this list every month so the ranking reflects new funding rounds, public-market movements, acquisitions and other valuation signals.

And if you want to better understand this new industry, you can download our pitch covering the AI in drug discovery market.

A quick summary table

Metric Value
Most valuable AI drug discovery startup Isomorphic Labs, $14.0B–$26.3B
Second most valuable AI drug discovery startup HeliXon, $4.5B–$5.5B, tied around a $5.0B midpoint with Parabilis Medicines
Median AI drug discovery valuation About $268M
Share of AI drug discovery valuation captured by the top 10 About 57%
Top AI drug discovery valuation vs. median About 75x, using valuation midpoints
Median AI drug discovery valuation-to-capital-raised ratio About 3.3x
AI drug discovery startups valued at $1B+ 26, using valuation midpoints
Market map chart showing top companies and startups in the AI in drug discovery market

This market map, featured in our AI in drug discovery market deck, highlights top companies and startups in the AI in drug discovery market

Top startups in the AI in drug discovery market ranked by valuation

Here is an updated table that ranks the top startups in the AI in drug discovery market based on their latest reported or estimated valuations.

If you want more details about their fundraising activity, you can check our list of the startups who have raised the most funding in the AI in drug discovery market.

# Startup Name What They Do Current Valuation ($) Valuation Confidence Level Valuation Type Evidence Status Total Funding ($) Funding Confidence Level
1 Isomorphic Labs AI-first drug design platform $14.0B–$26.3B Partial Confidence Implied Valuation from Raise Implied $2.7B Strong Confidence
2 HeliXon AI-designed antibodies and biologics $4.5B–$5.5B Partial Confidence IPO or Listing Range Valuation Estimated $871.6M* Partial Confidence
3 Parabilis Medicines Helicon peptides for undruggable cancers $5.0B Full Confidence Public Market Cap Observed $888M Strong Confidence
4 Relay Therapeutics AI-guided precision small-molecule medicines $4.1B Full Confidence Public Market Cap Observed $520M Strong Confidence
5 XtalPi AI and robotic drug discovery $4.0B Full Confidence Public Market Cap Observed $1.2B Strong Confidence
6 Chai Discovery AI foundation models for molecules $3.8B Full Confidence Announced Private Round Valuation Observed $630M Strong Confidence
7 AbCellera AI-enabled antibody drug discovery $3.7B Full Confidence Public Market Cap Observed $247M Strong Confidence
8 Insilico Medicine Generative AI drug discovery platform $3.3B Full Confidence Public Market Cap Observed $524M Strong Confidence
9 Pathos AI AI-driven oncology drug development $2.8B–$3.2B Strong Confidence Active Raise Valuation Observed $457M Strong Confidence
10 Xaira Therapeutics AI-enabled therapeutic drug development $2.4B–$3.0B Partial Confidence Comparables-Based Estimate Estimated $1.0B Strong Confidence
11 insitro Machine-learning driven drug discovery $2.2B–$3.0B Partial Confidence Comparables-Based Estimate Estimated $643M Strong Confidence
12 BioMap Biological foundation models for discovery $1.8B–$2.6B Partial Confidence IPO or Listing Range Valuation Estimated $100.1M Strong Confidence
13 Generate:Biomedicines Generative AI protein therapeutics $2.0B Full Confidence Public Market Cap Observed $708M Strong Confidence
14 METiS Therapeutics AI-powered drug delivery development $1.9B Full Confidence Public Market Cap Observed $306M Strong Confidence
15 Soley Therapeutics AI cellular-stress drug discovery $1.3B–$2.5B Partial Confidence Implied Valuation from Raise Implied ~$290M Partial Confidence
16 Recursion Pharmaceuticals Automated AI-driven drug discovery $1.8B Full Confidence Public Market Cap Observed $480M Strong Confidence
17 Absci Generative AI biologic drug design $1.5B Full Confidence Public Market Cap Observed $228M Strong Confidence
18 Maze Therapeutics Precision medicines for genetic diseases $1.5B Full Confidence Public Market Cap Observed $496M Strong Confidence
19 Odyssey Therapeutics Precision immunology autoimmune therapeutics $1.3B Full Confidence Public Market Cap Observed $700M Strong Confidence
20 Cellarity AI cell-state correcting medicines $900M–$1.5B Partial Confidence Comparables-Based Estimate Estimated $294M Strong Confidence
21 Terray Therapeutics AI-native small-molecule drug discovery $900M–$1.5B Partial Confidence Implied Valuation from Raise Estimated $200M Strong Confidence
22 Owkin AI models for biomedical research $1.0B–$1.4B Partial Confidence Comparables-Based Estimate Estimated $304M Strong Confidence
23 Enveda Biosciences AI discovers medicines from nature $1.0B–$1.3B Strong Confidence Announced Private Round Valuation Estimated $517M Strong Confidence
24 EvolutionaryScale Generative AI for protein design $900M–$1.4B Low Confidence Acquisition Value Estimated $145M Strong Confidence
25 Immunai Maps immunity for drug development $900M–$1.2B Partial Confidence Comparables-Based Estimate Estimated $307M Strong Confidence
26 Deep Genomics AI-designed RNA genetic medicines $700M–$1.3B Low Confidence Comparables-Based Estimate Estimated ~$237M Partial Confidence
27 Superluminal Medicines AI-designed GPCR small-molecule drugs $700M–$1.0B Partial Confidence Implied Valuation from Raise Implied $158M Strong Confidence
28 Genesis Therapeutics AI molecular design for therapeutics $780M–$850M Strong Confidence Announced Private Round Valuation Estimated $340M Strong Confidence
29 Cradle AI protein engineering platform $550M–$850M Partial Confidence Implied Valuation from Raise Implied ~$103M Partial Confidence
30 Iambic Therapeutics AI-designed oncology drug development $640M–$700M Strong Confidence Announced Private Round Valuation Estimated $337M Strong Confidence
31 Valo Health Human-data AI drug discovery $500M–$800M Low Confidence Comparables-Based Estimate Estimated $400M Strong Confidence
32 Exscientia AI-designed small-molecule drugs $630M Full Confidence Acquisition Value Observed $674M Strong Confidence
33 Eikon Therapeutics Live-cell imaging drug discovery $616M Full Confidence Public Market Cap Observed $1.1B Strong Confidence
34 Relation Therapeutics AI-driven disease target discovery $450M–$700M Partial Confidence Comparables-Based Estimate Estimated $138M Strong Confidence
35 CytoReason AI computational disease modeling platform $450M–$700M Partial Confidence Revenue or ARR Multiple Estimate Estimated ~$130M Partial Confidence
36 Juvenescence.AI AI-enabled healthy-aging therapeutics $500M–$600M Strong Confidence Announced Private Round Valuation Estimated $325M Strong Confidence
37 Plexium Targeted protein degrader therapeutics $400M–$600M Partial Confidence Implied Valuation from Raise Implied $225M Strong Confidence
38 HAYA Therapeutics Regulatory-RNA precision therapeutics $375M–$550M Partial Confidence Implied Valuation from Raise Estimated ~$94M Partial Confidence
39 BigHat Biosciences AI-designed therapeutic antibodies $430M–$480M Strong Confidence Announced Private Round Valuation Observed $228M Strong Confidence
40 BioAge Labs Metabolic drugs targeting aging biology $436M Full Confidence Public Market Cap Observed $297M Strong Confidence
41 Verge Genomics AI neurological drug discovery $350M–$500M Partial Confidence Comparables-Based Estimate Estimated ~$168M Partial Confidence
42 Proxima AI-designed proximity therapeutics $320M–$480M Partial Confidence Implied Valuation from Raise Implied $80M Strong Confidence
43 Healx AI medicines for rare diseases $300M–$500M Partial Confidence Comparables-Based Estimate Estimated $115M Strong Confidence
44 Rezo Therapeutics Maps disease networks for medicines $310M–$470M Partial Confidence Comparables-Based Estimate Estimated $78M Strong Confidence
45 HotSpot Therapeutics Allosteric medicines regulatory proteins $300M–$450M Partial Confidence Comparables-Based Estimate Estimated $210M Strong Confidence
46 Aqemia Physics-based generative AI drug design $250M–$400M Partial Confidence Implied Valuation from Raise Estimated $108M Strong Confidence
47 Inceptive AI-designed RNA medicines $250M–$375M Strong Confidence Implied Valuation from Raise Implied ~$120M Partial Confidence
48 Ensem Therapeutics AI precision oncology medicines $250M–$350M Partial Confidence Comparables-Based Estimate Estimated ~$120M* Partial Confidence
49 Medra Autonomous AI laboratory scientists $240M–$350M Partial Confidence Implied Valuation from Raise Implied $63M Strong Confidence
50 Latent Labs Generative protein design models $200M–$300M Partial Confidence Comparables-Based Estimate Estimated $50M Strong Confidence
51 Auron Therapeutics AI-discovered cell-state therapeutics $180M–$300M Partial Confidence Implied Valuation from Raise Implied $95.5M Strong Confidence
52 Apeiron Therapeutics AI-designed oncology small-molecule therapeutics $180M–$300M Partial Confidence Comparables-Based Estimate Estimated $71.5M Strong Confidence
53 LabGenius Machine-learning antibody discovery $190M–$280M Partial Confidence Comparables-Based Estimate Estimated $81M Strong Confidence
54 PostEra AI medicinal chemistry platform $190M–$260M Partial Confidence Comparables-Based Estimate Estimated ~$26M Partial Confidence
55 Bioptimus Foundation models for biology $165M–$250M Partial Confidence Comparables-Based Estimate Estimated $76M Strong Confidence
56 e-therapeutics / Tangram Therapeutics Computational RNAi drug development $160M–$220M Partial Confidence Comparables-Based Estimate Estimated ≥$37M Partial Confidence
57 Envisagenics AI-guided RNA splicing therapeutics $140M–$220M Low Confidence Implied Valuation from Raise Implied $27M Strong Confidence
58 A-Alpha Bio Measures engineers protein interactions $140M–$220M Partial Confidence Comparables-Based Estimate Estimated $64.3M Strong Confidence
59 Tandem AI Integrated computational drug discovery $165M–$190M Strong Confidence Announced Private Round Valuation Observed $82M Strong Confidence
60 Anagenex Machine-learning small-molecule drug discovery $130M–$220M Partial Confidence Implied Valuation from Raise Estimated $37.2M Strong Confidence
61 Gero AI discovers age-related disease targets $130M–$210M Strong Confidence Implied Valuation from Raise Implied $35.2M Strong Confidence
62 1910 Genetics Automated multimodal AI drug discovery $120M–$200M Partial Confidence Comparables-Based Estimate Estimated $36.7M Strong Confidence
63 ReviR Therapeutics AI-guided RNA-targeting therapeutics $120M–$180M Partial Confidence Comparables-Based Estimate Estimated $54.6M Strong Confidence
64 Manas AI AI-native end-to-end drug discovery $120M–$175M Partial Confidence Implied Valuation from Raise Implied $26M Strong Confidence
65 Atomic AI AI-driven RNA drug discovery $110M–$180M Partial Confidence Comparables-Based Estimate Estimated $42M Strong Confidence
66 Peptone Disordered-protein drug discovery $110M–$170M Partial Confidence Comparables-Based Estimate Estimated ~$42M Partial Confidence
67 Atomwise AI structure-based small-molecule discovery $120M–$130M Strong Confidence Announced Private Round Valuation Observed ~$240M Partial Confidence
68 Inductive Bio AI models for drug optimization $100M–$150M Partial Confidence Comparables-Based Estimate Estimated $29M Strong Confidence
69 Aitia Causal-AI digital twins for drugs $90M–$140M Partial Confidence Comparables-Based Estimate Estimated $77.3M Strong Confidence
70 Predictive Oncology GPU compute; legacy oncology AI $113M Full Confidence Public Market Cap Observed $344M+ Partial Confidence
71 Converge Bio Generative AI drug discovery $90M–$130M Strong Confidence Implied Valuation from Raise Estimated $33M Strong Confidence
72 Turbine Virtual-cell drug discovery $93M–$103M Strong Confidence Announced Private Round Valuation Implied ~$62M Partial Confidence
73 Standigm AI drug discovery software platform $50M–$120M Low Confidence Proxy-Based Estimate Estimated ~$78M Partial Confidence
74 Iktos Generative-AI drug design robotics $70M–$100M Partial Confidence Revenue or ARR Multiple Estimate Estimated ~$19M Partial Confidence
75 DeepLife Cell digital twins for discovery $55M–$90M Partial Confidence Implied Valuation from Raise Implied $16M Strong Confidence
76 Quris-AI AI clinical-response prediction $50M–$80M Low Confidence Comparables-Based Estimate Estimated ~$37M Partial Confidence
77 ImmunoPrecise Antibodies AI antibody discovery and engineering $64M Full Confidence Public Market Cap Observed ~$24M Partial Confidence
78 Antiverse AI antibody drug design $47M–$78M Strong Confidence Implied Valuation from Raise Implied >$20M Partial Confidence
79 Cyclica AI-driven digital chemistry platform $61M Full Confidence Acquisition Value Observed $22M Strong Confidence
80 PrecisionLife AI precision-medicine disease analytics $35M–$65M Low Confidence Comparables-Based Estimate Estimated ≥$2.6M disclosed Partial Confidence
81 BlackThorn Therapeutics Computational neuroscience drug development $48M Full Confidence Acquisition Value Observed ~$130M Partial Confidence
82 Cyrus Biotechnology Protein design software and therapeutics $35M–$60M Low Confidence Proxy-Based Estimate Estimated $34M Strong Confidence
83 Valence Labs Machine learning drug discovery $36M Full Confidence Acquisition Value Observed $11M Strong Confidence
84 InveniAI AI pharmaceutical target discovery $25M–$45M Low Confidence Proxy-Based Estimate Estimated Undisclosed Low Confidence
85 Ignota Labs AI rescues failed drug assets $28M–$41M Partial Confidence Implied Valuation from Raise Implied $7M Strong Confidence
86 DenovAI AI de novo protein design $20M–$35M Low Confidence Proxy-Based Estimate Estimated $6M Strong Confidence
87 Evaxion Biotech AI-designed vaccines and immunotherapies $26M Full Confidence Public Market Cap Observed ~$17M Partial Confidence
88 Evariste AI synthetic-lethality oncology discovery $18M–$32M Low Confidence Implied Valuation from Raise Estimated ~$3.9M Partial Confidence
89 MolecuLern AI-guided small-molecule discovery engine $15M–$35M Low Confidence Proxy-Based Estimate Estimated Undisclosed Low Confidence
90 Collaborations Pharmaceuticals AI drug discovery software services $15M–$30M Low Confidence Proxy-Based Estimate Estimated $10M Strong Confidence
91 BenevolentAI Knowledge-graph AI drug discovery $10M–$30M Low Confidence Proxy-Based Estimate Estimated $282M Strong Confidence
92 Oxford Drug Design AI oncology drug discovery $14M–$16M Strong Confidence Implied Valuation from Raise Implied ~$17M Partial Confidence
93 BioSymetrics AI biomarkers and drug discovery $12M Full Confidence Acquisition Value Observed $4.9M Strong Confidence
94 oneThree Biotech AI predicts drug response mechanisms $8M–$15M Low Confidence Proxy-Based Estimate Estimated $3.8M Strong Confidence
95 Reverie Labs Machine-learning molecular drug design $4M–$15M Low Confidence Acquisition Value Estimated ~$25M–$32M Partial Confidence
96 Cloud Pharmaceuticals Computational AI small-molecule design $5M–$12M Low Confidence Proxy-Based Estimate Estimated $4.7M Strong Confidence
97 BioXcel Therapeutics AI-enabled neuroscience drug development $3M Full Confidence Public Market Cap Observed $373M+ Partial Confidence
Chart comparing the 2026 size of the AI in drug discovery market with other markets of similar size

This chart, featured in our AI in drug discovery market deck, compares the 2026 size of the AI in drug discovery market with other markets of similar size

Key valuation trends in the AI in drug discovery market

Insights

  • The AI in drug discovery market is highly concentrated. Using valuation midpoints, the ten largest companies represent roughly 57% of the combined valuation in this ranking.
  • AbCellera is one of the clearest examples of capital efficiency in AI drug discovery. Its roughly $3.7B market capitalization is about 15 times the $247M of funding listed in the dataset.
  • Chai Discovery also stands out, with a $3.8B valuation against $630M raised. That is roughly six times cumulative funding, an unusually strong ratio for a privately held AI therapeutics company.
  • Relay Therapeutics is valued at about $4.1B after raising $520M, close to eight times invested capital. The gap suggests investors are assigning substantial value to Relay's clinical pipeline and future drug opportunities.
  • Capital efficiency varies sharply across AI drug discovery business models. Eikon Therapeutics has raised about $1.1B but carries a $616M market capitalization, while several model-driven companies trade at multiples of cumulative funding.
  • Exscientia provides another useful counterexample. Exscientia's $630M acquisition value was slightly below its roughly $674M of total funding, showing that large amounts of venture capital do not automatically translate into larger exits.
  • Mid-sized AI drug discovery companies cluster around much lower valuation multiples. Genesis Therapeutics and Iambic Therapeutics both sit near $700M to $800M while each has raised roughly $340M, or around two times invested capital.
Chart showing how Shrödinger is positioned in the AI drug discovery market

This chart, featured in our AI in drug discovery market deck, shows how Shrödinger is positioned in AI drug discovery

A few words about our methodology

As you can see, we built a database that ranks startups in the AI in drug discovery market based on their current valuation.

Estimating AI drug discovery startup valuations is not always straightforward. Many private biotechnology companies do not publicly disclose their valuation, and the available information varies widely depending on the company, funding stage and drug pipeline.

To build this ranking, we applied a structured valuation methodology and cross-checked information across multiple reliable sources.

Whenever possible, we relied on direct disclosures. These include announced valuations from completed funding rounds, public filings for listed AI drug discovery companies, or official acquisition prices.

When an AI drug discovery company is publicly listed, we use its current market capitalization as the reference valuation.

If a company was acquired and no independent valuation can reasonably be estimated today, we use the acquisition price as the main reference point.

When an AI drug discovery startup recently raised capital but the valuation was not disclosed, we estimate the implied valuation using typical dilution levels for that stage of fundraising.

In some cases, we also estimate valuations using operating metrics such as revenue, ARR, partnerships, pipeline progress or customer traction, combined with valuation multiples from comparable companies in AI drug discovery and biotechnology.

When direct financial data is not available, we may rely on carefully selected comparable startups and other signals such as hiring growth, investor quality, scientific progress, clinical development or product traction.

All estimates follow a strict evidence hierarchy. Recent funding rounds with announced valuations carry the most weight, followed by public-market data, strong operating metrics and comparable company analysis.

We also carefully evaluate the age of every data point. Recent information carries more weight, while older data is treated cautiously and adjusted conservatively when necessary.

Whenever information is uncertain or incomplete, we clearly distinguish between confirmed facts and reasonable inferences.

Because valuation data is not always fully public, each AI drug discovery startup in the ranking is assigned a confidence level based on the reliability, recency and consistency of the available evidence.

Full confidence means the valuation is supported by strong and recent evidence. Strong confidence means the estimate is well supported but includes minor inference. Partial confidence means the estimate relies more heavily on indirect signals. Low confidence means available information is limited or inconsistent.

When confidence is lower, we take a more conservative approach by widening the valuation range. This helps reflect the uncertainty and increases the probability that the true valuation falls within the estimated range.

Funding data is assessed separately. Funding confidence reflects how precise and directly supported the cumulative capital figure is, especially when older rounds, undisclosed financings or approximate totals make exact reconstruction difficult.

This reflects how we conduct all our research, including the work behind our report covering the AI in drug discovery market.

In a world where LLMs hallucinate and unreliable information is everywhere, our goal is simple: provide data you can trust.

If you want the full detail on a specific valuation estimate, feel free to contact us and we will gladly explain.

Finally, know that we update the dataset once per month, so come back here if you need fresh information.

Chart showing the projected CAGR of the AI in drug discovery market

This chart, featured in our AI in drug discovery market deck, shows annual funding in AI drug discovery startups

Related blog posts

- AI in Drug Discovery: what are the top startups?

- Which companies have raised the most funding in AI for drug discovery?

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