Company lists · Data refreshed September 2026
Top 25 Computational drug discovery companies based in the United States
RevenueBase identified 526 company matches for computational drug discovery companies associated with the United States as of September 2026 and tracks 17,085 professional contacts across them, including 7,737 with verified work emails. Boston is the largest hub.
This list covers company matches for computational drug discovery companies associated with the United States, found by RevenueBase SmartSearch using the meaning of business descriptions in its company graph at Exact. Ranked by professionals tracked, largest first. Rows show recorded descriptions where available, Exact search membership and the snapshot date. Data refreshed September 19, 2026.
Published by RevenueBase, a B2B data infrastructure company. This list was built with RevenueBase SmartSearch, the natural-language company search RevenueBase customers use to build their own targeted lists and unlock verified emails and direct dials at the companies on them. How these lists are built and judged.
The 25 largest computational drug discovery companies based in the United States
Ranked by team size| # | Company | Contacts | |||
|---|---|---|---|---|---|
| 1 | 1,905 contacts → | ||||
Exact match “ArisGlobal is an AI-first technology company at the forefront of life sciences and the creator of LifeSphere®, the platform trusted by hundreds of life sciences organizations…” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 2 | 1,237 contacts → | ||||
Exact match “Certara accelerates medicines using proprietary biosimulation software, technology and services to transform traditional drug discovery and development.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 3 | 957 contacts → | ||||
Exact match “Schrödinger’s industry-leading computational platform facilitates the research efforts of biopharmaceutical and industrial companies, academic institutions, and government…” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 4 | 894 contacts → | ||||
Exact match “Discover how Excelra, a leader in biopharma data and analytics, uniquely blends scientific understanding with technological expertise.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 5 | 839 contacts → | ||||
Exact match “We are rebuilding biotech for the AI era.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 6 | 370 contacts → | ||||
Exact match “nference leverages the top academic minds, world-class researchers, and real-time access to multimodal, patient-level data to accelerate drug development innovation, generate…” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 7 | 281 contacts → | ||||
Exact match “Insilico Medicine, a clinical stage biotech company powered by generative AI, is connecting biology, chemistry, and clinical trials analysis using next-generation AI systems.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 8 | 224 contacts → | ||||
Exact match “We are a quantum physics-based, AI-powered drug R&D company with the mission to revolutionize drug discovery and development by improving the speed, scale, novelty and success…” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 9 | 191 contacts → | ||||
Exact match “Valo is a technology company built to transform drug discovery and development using large-scale data and AI-powered computation.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 10 | 182 contacts → | ||||
Exact match “Simulations Plus is a leading provider of modeling and simulation software and consulting services supporting drug discovery, development research, and regulatory submissions.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 11 | 180 contacts → | ||||
Exact match “Formation Bio is an AI-native pharma company differentiated by radically more efficient drug development.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 12 | 179 contacts → | ||||
Exact match “Xaira Therapeutics is an integrated biotechnology company driving advances in artificial intelligence to learn the language of life and transform how we treat disease.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 13 | 174 contacts → | ||||
Exact match “Absci is a data-first AI drug creation company designing differentiated therapeutics using generative AI.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 14 | 164 contacts → | ||||
Exact match “Treeline (or Treeline Biosciences) is a privately held, clinical-stage biopharma company that aspires to make medicines at the highest level.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 15 | 156 contacts → | ||||
Exact match “X-Chem is your preferred partner for innovative small molecule discovery.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 16 | 149 contacts → | ||||
Exact match “D.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 17 | 128 contacts → | ||||
Exact match “Terray is a biotechnology company with the technology, data, and mindset to radically change the way we discover and develop small molecule therapeutics.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 18 | 124 contacts → | ||||
Exact match “At Aganitha, we make AI work for Science.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 19 | 123 contacts → | ||||
Exact match “Sail Biomedicines is creating a new class of RNA medicines designed to instruct therapeutic activity directly inside a patient’s body and within selected cells.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 20 | 121 contacts → | ||||
Exact match “OpenEye, Cadence Molecular Sciences is an industry leader in computational molecular design based on decades of delivering rapid, robust, and scalable software, toolkits, and…” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 21 | 121 contacts → | ||||
Exact match “Iambic is a clinical-stage life sciences & technology company developing novel medicines using its AI-driven platform.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 22 | 119 contacts → | ||||
Exact match “Septerna is on a mission to make the promise of future GPCR medicines a reality for patients.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 23 | 102 contacts → | ||||
Exact match “Nimbus Therapeutics is a clinical-stage, structure-based drug discovery company developing novel small molecule medicines designed to act against well-validated but…” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 24 | 101 contacts → | ||||
Exact match “At Ventus, we are pioneering a unique approach to structure-based drug discovery to address biologically validated, but difficult-to-drug targets.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
| 25 | 96 contacts → | ||||
Exact match “Intelligencia AI uses artificial intelligence to de-risk drug development.” Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase | |||||
RevenueBase SmartSearch
Describe a niche business in your own words. RevenueBase SmartSearch compares the meaning of your description with company business descriptions compiled in the RevenueBase company graph. Exact, Similar, Related and Broad control how closely companies must fit.
This list uses Exact for “computational drug discovery companies”. Each Exact match badge shows membership in that saved search; it is not an individual similarity score or a service-quality rating. Recorded descriptions are shown where available.
Showing 25 of 526 computational drug discovery companies based in the United States
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Computational drug discovery companies based in the United States at a glance
As of Sep 19, 2026Companies by employee count
Email recency for this list is measured worldwide rather than for United States, so it is reported there. Company counts and contact totals on this page are exact for United States, over 526 companies.
How this list was built
The recorded descriptions help you assess these company matches. Check a company’s website for its current services and locations.
- Source
- The RevenueBase company graph: 60 million companies and 398.9 million professional contacts resolved from primary sources, queried with RevenueBase SmartSearch, the natural-language company search available to every RevenueBase user.
- What qualifies
- Company records associated with the United States whose business descriptions match “computational drug discovery companies” by meaning at the Exact setting. Descriptions are compiled in the RevenueBase company graph from public websites, profiles and company information where available; they are not guaranteed quotations from the company's website.
- RevenueBase SmartSearch
- Describe a niche company in your own words to find businesses by meaning. Exact, Similar, Related and Broad control the breadth of RevenueBase SmartSearch. This saved list uses Exact. Each row's Exact match badge shows inclusion in that search, not an individual score or a service-quality judgment.
- Public preview
- The public preview omits records without a verified work email. Where headquarters information is recorded, preview rows are also filtered to this page’s location. Dataset totals and geographic summaries describe the full matched records before these preview filters.
- Match quality
- RevenueBase's August 25, 2026 study assessed 4,198 description/company pairs across matching settings. The publisher reports 86% good or better at Exact. This evaluates the method across queries; it does not audit this individual list. Recorded company descriptions, where available, help you judge each match yourself. Read the full methodology: how the lists are built and what the study measures.
- Ranking
- Team size, largest first: companies are ordered by the number of professionals RevenueBase tracks at each one. Employee ranges shown are reported bands, for context.
- Verification
- Every displayed company carries at least one verified work email. RevenueBase tracks 7,737 professional contacts with verified work emails across the full matched dataset. Contacts re-verify on a rolling cadence, and each contact's own verification date is shown inside RevenueBase.
- Refresh
- This page's figures were pulled from the company graph on September 19, 2026. Lists refresh periodically as the graph is re-checked.
- Record context
- Company records and descriptions can change. Check the company's website for its current services and locations.
Computational drug discovery companies by metro
Frequently asked
What is RevenueBase SmartSearch?
RevenueBase SmartSearch finds niche companies by the meaning of their business descriptions in the RevenueBase company graph. Exact, Similar, Related and Broad control how closely companies must fit your description. This list uses Exact for “computational drug discovery companies”; each Exact match badge shows search membership, not an individual similarity or quality score.
How many computational drug discovery companies are there based in the United States?
RevenueBase identified 526 company matches for computational drug discovery companies associated with the United States as of September 2026, using the meaning of business descriptions at Exact. This is the recorded matched set in the RevenueBase company graph.
What is the largest company on this list?
Arisglobal tops the displayed preview by professional contacts tracked in RevenueBase. Recorded headquarters appear in the company rows.
Which city has the most computational drug discovery companies?
Boston leads with 42 company records, followed by San Francisco (40) and San Diego (34).
How do I get contact information for these companies?
A free RevenueBase account lets you run this exact search and work limited free results with 500 credits to start. Upgrading provides access to the 7,737 professional contacts with verified work emails tracked across these 526 companies; direct dials are available where recorded.
How current is this list?
The list refreshes periodically as the company graph is re-checked. This page's figures were pulled on September 19, 2026.
Ready to reach these companies? Verified emails and direct dials for all 526 computational drug discovery companies based in the United States. Start with a free account, no credit card.
Download this list →Related lists
Computational drug discovery companies by geography
- Computational drug discovery companies based in Boston, United States
- Computational drug discovery companies based in Cambridge, United States
- Computational drug discovery companies based in New York, United States
- Computational drug discovery companies based in San Diego, United States
- Computational drug discovery companies based in San Francisco, United States
- Computational drug discovery companies based in Canada
- Computational drug discovery companies based in France
- Computational drug discovery companies based in Germany
- Computational drug discovery companies based in India
- Computational drug discovery companies based in Japan
- Computational drug discovery companies based in South Korea
- Computational drug discovery companies based in the United Kingdom
About this data
RevenueBase is a B2B data infrastructure company. Its company graph covers 60 million companies and 398.9 million professional contacts, with emails verified on a rolling cadence rather than scraped once and left to decay. These company lists are generated directly from that graph with RevenueBase SmartSearch, the same natural-language company search every RevenueBase user has: describe a market in plain words, get the companies that match, and add verified emails and direct dials for the people at them. It is the same data that powers RevenueBase's B2B data products, and a free account includes 500 credits to start. How these lists are built and judged.
More company lists
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- New lists
- Computational drug discovery companies based in Boston, United States
- Computational drug discovery companies based in Cambridge, United States
- Computational drug discovery companies based in New York, United States
- Computational drug discovery companies based in San Diego, United States
- Computational drug discovery companies based in San Francisco, United States
- Computational drug discovery companies based in Canada
Company intelligence · public preview
Top 25 computational drug discovery companies based in the United States
Find companies in any niche.
Describe the businesses you want in your own words. RevenueBase SmartSearch matches company descriptions by meaning.
RevenueBase records 526 matching company records for computational drug discovery companies based in the United States, with 17,085 tracked contacts and 7,737 verified work emails.
This public preview shows 25 selected records ordered by tracked contacts. RevenueBase SmartSearch finds company descriptions that match by meaning at Exact. Snapshot: September 19, 2026.
RevenueBase compiles business descriptions for niche-company discovery; each row shows a recorded excerpt where available. Adapt this search to find the companies and contacts you want.
Top 25 computational drug discovery companies based in the United States
The public list shows selected company records with contact and verified-email coverage. Reported employee bands provide separate company-size context.
| # | Company | Headquarters on record | Reported employees | RevenueBase SmartSearch | Tracked contacts |
|---|---|---|---|---|---|
| 1 |  Arisglobalarisglobal.comHQ: Waltham, MA, United StatesReported employees: 1,001-5,000 | Waltham, MA, United States | 1,001-5,000 | Exact match | 1,905 contacts → |
“ArisGlobal is an AI-first technology company at the forefront of life sciences and the creator of LifeSphere®, the platform trusted by hundreds of life sciences organizations…” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 2 |  Certaracertara.comHQ: Radnor, PA, United StatesReported employees: 1,001-5,000 | Radnor, PA, United States | 1,001-5,000 | Exact match | 1,237 contacts → |
“Certara accelerates medicines using proprietary biosimulation software, technology and services to transform traditional drug discovery and development.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 3 |  Schrödingerschrodinger.comHQ: New York, NY, United StatesReported employees: 501-1,000 | New York, NY, United States | 501-1,000 | Exact match | 957 contacts → |
“Schrödinger’s industry-leading computational platform facilitates the research efforts of biopharmaceutical and industrial companies, academic institutions, and government…” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 4 |  Excelraexcelra.comHQ: Iselin, NJ, United StatesReported employees: 501-1,000 | Iselin, NJ, United States | 501-1,000 | Exact match | 894 contacts → |
“Discover how Excelra, a leader in biopharma data and analytics, uniquely blends scientific understanding with technological expertise.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 5 |  Benchlingbenchling.comHQ: San Francisco, CA, United StatesReported employees: 501-1,000 | San Francisco, CA, United States | 501-1,000 | Exact match | 839 contacts → |
“We are rebuilding biotech for the AI era.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 6 |  Nferencenference.comHQ: Cambridge, MA, United StatesReported employees: 201-500 | Cambridge, MA, United States | 201-500 | Exact match | 370 contacts → |
“nference leverages the top academic minds, world-class researchers, and real-time access to multimodal, patient-level data to accelerate drug development innovation, generate…” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 7 |  Insilico Medicineinsilico.comHQ: Boston, MA, United StatesReported employees: 201-500 | Boston, MA, United States | 201-500 | Exact match | 281 contacts → |
“Insilico Medicine, a clinical stage biotech company powered by generative AI, is connecting biology, chemistry, and clinical trials analysis using next-generation AI systems.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 8 |  Xtalpi INCxtalpi.comHQ: Cambridge, MA, United StatesReported employees: 501-1,000 | Cambridge, MA, United States | 501-1,000 | Exact match | 224 contacts → |
“We are a quantum physics-based, AI-powered drug R&D company with the mission to revolutionize drug discovery and development by improving the speed, scale, novelty and success…” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 9 |  Valo Healthvalohealth.comHQ: Lexington, MA, United StatesReported employees: 51-200 | Lexington, MA, United States | 51-200 | Exact match | 191 contacts → |
“Valo is a technology company built to transform drug discovery and development using large-scale data and AI-powered computation.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 10 |  Simulations Plus, INCsimulations-plus.comHQ: Durham, NC, United StatesReported employees: 201-500 | Durham, NC, United States | 201-500 | Exact match | 182 contacts → |
“Simulations Plus is a leading provider of modeling and simulation software and consulting services supporting drug discovery, development research, and regulatory submissions.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 11 |  Formation BIOformation.bioHQ: New York, NY, United StatesReported employees: 51-200 | New York, NY, United States | 51-200 | Exact match | 180 contacts → |
“Formation Bio is an AI-native pharma company differentiated by radically more efficient drug development.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 12 |  Xaira Therapeuticsxaira.comHQ: South San Francisco, CA, United StatesReported employees: 51-200 | South San Francisco, CA, United States | 51-200 | Exact match | 179 contacts → |
“Xaira Therapeutics is an integrated biotechnology company driving advances in artificial intelligence to learn the language of life and transform how we treat disease.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 13 |  ABSCIabsci.comHQ: Vancouver, WA, United StatesReported employees: 51-200 | Vancouver, WA, United States | 51-200 | Exact match | 174 contacts → |
“Absci is a data-first AI drug creation company designing differentiated therapeutics using generative AI.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 14 |  Treelinetreeline.bioHQ: Watertown, MA, United StatesReported employees: 51-200 | Watertown, MA, United States | 51-200 | Exact match | 164 contacts → |
“Treeline (or Treeline Biosciences) is a privately held, clinical-stage biopharma company that aspires to make medicines at the highest level.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 15 |  X-Chem, INCx-chemrx.comHQ: Waltham, MA, United StatesReported employees: 201-500 | Waltham, MA, United States | 201-500 | Exact match | 156 contacts → |
“X-Chem is your preferred partner for innovative small molecule discovery.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 16 |  D. E. Shaw Researchdeshawresearch.comHQ: New York, NY, United StatesReported employees: 51-200 | New York, NY, United States | 51-200 | Exact match | 149 contacts → |
“D.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 17 |  Terray Therapeuticsterraytx.comHQ: Pasadena, CA, United StatesReported employees: 51-200 | Pasadena, CA, United States | 51-200 | Exact match | 128 contacts → |
“Terray is a biotechnology company with the technology, data, and mindset to radically change the way we discover and develop small molecule therapeutics.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 18 |  Aganithaaganitha.aiHQ: Gilroy, CA, United StatesReported employees: 51-200 | Gilroy, CA, United States | 51-200 | Exact match | 124 contacts → |
“At Aganitha, we make AI work for Science.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 19 |  Sail Biomedicinessail.bioHQ: Cambridge, MA, United StatesReported employees: 51-200 | Cambridge, MA, United States | 51-200 | Exact match | 123 contacts → |
“Sail Biomedicines is creating a new class of RNA medicines designed to instruct therapeutic activity directly inside a patient’s body and within selected cells.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 20 |  Openeye, Cadence Molecular Scienceseyesopen.comHQ: Santa Fe, NM, United StatesReported employees: 51-200 | Santa Fe, NM, United States | 51-200 | Exact match | 121 contacts → |
“OpenEye, Cadence Molecular Sciences is an industry leader in computational molecular design based on decades of delivering rapid, robust, and scalable software, toolkits, and…” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 21 |  Iambiciambic.aiHQ: San Diego, CA, United StatesReported employees: 51-200 | San Diego, CA, United States | 51-200 | Exact match | 121 contacts → |
“Iambic is a clinical-stage life sciences & technology company developing novel medicines using its AI-driven platform.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 22 |  Septernasepterna.comHQ: South San Francisco, CA, United StatesReported employees: 51-200 | South San Francisco, CA, United States | 51-200 | Exact match | 119 contacts → |
“Septerna is on a mission to make the promise of future GPCR medicines a reality for patients.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 23 |  Nimbus Therapeuticsnimbustx.comHQ: Boston, MA, United StatesReported employees: 51-200 | Boston, MA, United States | 51-200 | Exact match | 102 contacts → |
“Nimbus Therapeutics is a clinical-stage, structure-based drug discovery company developing novel small molecule medicines designed to act against well-validated but…” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 24 |  Ventus Therapeuticsventustx.comHQ: Waltham, MA, United StatesReported employees: 11-50 | Waltham, MA, United States | 11-50 | Exact match | 101 contacts → |
“At Ventus, we are pioneering a unique approach to structure-based drug discovery to address biologically validated, but difficult-to-drug targets.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 25 |  Intelligencia AIintelligencia.aiHQ: New York, NY, United StatesReported employees: 51-200 | New York, NY, United States | 51-200 | Exact match | 96 contacts → |
“Intelligencia AI uses artificial intelligence to de-risk drug development.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
Showing 25 of 526 company matches
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Computational drug discovery companies: dataset insights
September 19, 2026These summaries describe recorded coverage in this saved dataset. This page is derived from saved source records; per-contact mobile coverage and email-recency results are not established by this snapshot.
Reported company sizes
526 records in the displayed employee bands.
0 matching records are outside the displayed bands or do not have a displayed size. Bars show shares of the displayed bands.
Email recency for this list is measured worldwide rather than for United States, so it is reported there. Company counts and contact totals on this page are exact for United States, over 526 companies.
How this company list was built
Describe a niche in your own words: companies installing commercial solar, or manufacturers of sustainable packaging. RevenueBase SmartSearch finds companies whose compiled business descriptions match by meaning. This list is one saved example to adapt.
Where the company descriptions come from
RevenueBase compiles company information from public sources, including company websites and public professional profiles such as LinkedIn, alongside information supplied by companies. The short recorded excerpt shown here is separate from the complete business description used for matching; individual source URLs and collection dates are not provided in this public snapshot.
RevenueBase SmartSearch matching settings
- Exact
- Closest fits to the business described.
- Similar
- Similar businesses with a wider range of fits.
- Related
- Related businesses in and around the category.
- Broad
- A broader set of businesses connected to the description.
RevenueBase SmartSearch · Exact match identifies inclusion in this search's closest semantic matching setting. It is not a per-company confidence score, a literal keyword match, or a quality endorsement.
Selection, ordering and scope
The public list shows selected company records with contact and verified-email coverage. Reported employee bands provide separate company-size context.
This page is derived from saved source records; per-contact mobile coverage and email-recency results are not established by this snapshot.
Recorded company descriptions support research; check company websites for current services. The selected preview is ordered by tracked contacts and is not a list of the best service providers.
Snapshot: September 19, 2026.
RevenueBase is a B2B data infrastructure company. Its September 3, 2026 published methodology describes a graph of 60 million companies and 398.9 million professional contacts; these platform figures differ from this page's totals. Published methodology ↗
Computational drug discovery companies by metro
Questions about this company list
What does Exact match mean for computational drug discovery companies?
The separate RevenueBase SmartSearch column identifies inclusion at the closest semantic matching preset. It is not a literal keyword match, a per-company confidence score or a quality endorsement. Changing the search form opens a new search in RevenueBase; it does not reclassify these saved rows.
How many computational drug discovery companies did RevenueBase find based in the United States?
The saved snapshot records 526 matching company records, 17,085 tracked contacts and 7,737 verified emails. The public preview displays 25 selected records.
Where do the company descriptions come from?
RevenueBase compiles company information from public sources, including company websites and public professional profiles such as LinkedIn, alongside information supplied by companies. The short recorded excerpt shown here is separate from the complete business description used for matching; individual source URLs and collection dates are not provided in this public snapshot.
How are the public companies ordered?
The selected public records are ordered by contacts tracked in RevenueBase, highest first. Contact coverage is a prospecting measure, not an assessment of the company's services or quality.
How can I get contact information?
Select a company's contact count to open its filtered contacts in RevenueBase. Free signup is required and includes 500 credits and limited free results. Verified emails, direct dials and mobile numbers depend on available coverage.
How current is this list?
Snapshot: September 19, 2026. Review each company's website for current services and locations. A recorded business description does not establish that every company offers every service named in the search.
What do headquarters and employee bands mean?
These are recorded company-level fields, rather than a map of every branch or a count of specialists. Missing headquarters or employee bands are labeled; older records may show a location separately from recorded headquarters.
Build your next target company list
Adapt this niche search and work with available contacts in RevenueBase.
Related lists
Computational drug discovery companies by geography
- Computational drug discovery companies based in Boston, United States
- Computational drug discovery companies based in Cambridge, United States
- Computational drug discovery companies based in New York, United States
- Computational drug discovery companies based in San Diego, United States
- Computational drug discovery companies based in San Francisco, United States
- Computational drug discovery companies based in Canada
- Computational drug discovery companies based in France
- Computational drug discovery companies based in Germany
- Computational drug discovery companies based in India
- Computational drug discovery companies based in Japan
- Computational drug discovery companies based in South Korea
- Computational drug discovery companies based in the United Kingdom
Cite this list
RevenueBase Data Team. Top 25 computational drug discovery companies based in the United States. Snapshot: September 19, 2026. https://revenuebase.ai/companies/computational-drug-discovery-companies/united-states.
This is a selected public preview of saved company records, rather than an independently verified census. Open the source page ↗
More company lists
- All company lists
- Lists by location
- Lists A-Z
- New lists
- Computational drug discovery companies based in Boston, United States
- Computational drug discovery companies based in Cambridge, United States
- Computational drug discovery companies based in New York, United States
- Computational drug discovery companies based in San Diego, United States
- Computational drug discovery companies based in San Francisco, United States
- Computational drug discovery companies based in Canada
Company intelligence · public preview
Top 25 computational drug discovery companies based in the United States
RevenueBase records 526 matching company records for computational drug discovery companies based in the United States, with 17,085 tracked contacts and 7,737 verified work emails.
This public preview shows 25 selected records ordered by tracked contacts. RevenueBase SmartSearch finds company descriptions that match by meaning at Exact. Snapshot: September 19, 2026.
RevenueBase compiles business descriptions for niche-company discovery; each row shows a recorded excerpt where available. Adapt this search to find the companies and contacts you want.
Top 25 computational drug discovery companies based in the United States
The public list shows selected company records with contact and verified-email coverage. Reported employee bands provide separate company-size context.
| # | Company | Headquarters on record | Reported employees | RevenueBase SmartSearch | Tracked contacts |
|---|---|---|---|---|---|
| 1 | Arisglobalarisglobal.com HQ: Waltham, MA, United StatesReported employees: 1,001-5,000 | Waltham, MA, United States | 1,001-5,000 | Exact match | 1,905 contacts → |
“ArisGlobal is an AI-first technology company at the forefront of life sciences and the creator of LifeSphere®, the platform trusted by hundreds of life sciences organizations…” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 2 | Certaracertara.com HQ: Radnor, PA, United StatesReported employees: 1,001-5,000 | Radnor, PA, United States | 1,001-5,000 | Exact match | 1,237 contacts → |
“Certara accelerates medicines using proprietary biosimulation software, technology and services to transform traditional drug discovery and development.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 3 | Schrödingerschrodinger.com HQ: New York, NY, United StatesReported employees: 501-1,000 | New York, NY, United States | 501-1,000 | Exact match | 957 contacts → |
“Schrödinger’s industry-leading computational platform facilitates the research efforts of biopharmaceutical and industrial companies, academic institutions, and government…” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 4 | Excelraexcelra.com HQ: Iselin, NJ, United StatesReported employees: 501-1,000 | Iselin, NJ, United States | 501-1,000 | Exact match | 894 contacts → |
“Discover how Excelra, a leader in biopharma data and analytics, uniquely blends scientific understanding with technological expertise.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 5 | Benchlingbenchling.com HQ: San Francisco, CA, United StatesReported employees: 501-1,000 | San Francisco, CA, United States | 501-1,000 | Exact match | 839 contacts → |
“We are rebuilding biotech for the AI era.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 6 | Nferencenference.com HQ: Cambridge, MA, United StatesReported employees: 201-500 | Cambridge, MA, United States | 201-500 | Exact match | 370 contacts → |
“nference leverages the top academic minds, world-class researchers, and real-time access to multimodal, patient-level data to accelerate drug development innovation, generate…” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 7 | Insilico Medicineinsilico.com HQ: Boston, MA, United StatesReported employees: 201-500 | Boston, MA, United States | 201-500 | Exact match | 281 contacts → |
“Insilico Medicine, a clinical stage biotech company powered by generative AI, is connecting biology, chemistry, and clinical trials analysis using next-generation AI systems.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 8 | Xtalpi INCxtalpi.com HQ: Cambridge, MA, United StatesReported employees: 501-1,000 | Cambridge, MA, United States | 501-1,000 | Exact match | 224 contacts → |
“We are a quantum physics-based, AI-powered drug R&D company with the mission to revolutionize drug discovery and development by improving the speed, scale, novelty and success…” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 9 | Valo Healthvalohealth.com HQ: Lexington, MA, United StatesReported employees: 51-200 | Lexington, MA, United States | 51-200 | Exact match | 191 contacts → |
“Valo is a technology company built to transform drug discovery and development using large-scale data and AI-powered computation.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 10 | Simulations Plus, INCsimulations-plus.com HQ: Durham, NC, United StatesReported employees: 201-500 | Durham, NC, United States | 201-500 | Exact match | 182 contacts → |
“Simulations Plus is a leading provider of modeling and simulation software and consulting services supporting drug discovery, development research, and regulatory submissions.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 11 | Formation BIOformation.bio HQ: New York, NY, United StatesReported employees: 51-200 | New York, NY, United States | 51-200 | Exact match | 180 contacts → |
“Formation Bio is an AI-native pharma company differentiated by radically more efficient drug development.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 12 | Xaira Therapeuticsxaira.com HQ: South San Francisco, CA, United StatesReported employees: 51-200 | South San Francisco, CA, United States | 51-200 | Exact match | 179 contacts → |
“Xaira Therapeutics is an integrated biotechnology company driving advances in artificial intelligence to learn the language of life and transform how we treat disease.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 13 | ABSCIabsci.com HQ: Vancouver, WA, United StatesReported employees: 51-200 | Vancouver, WA, United States | 51-200 | Exact match | 174 contacts → |
“Absci is a data-first AI drug creation company designing differentiated therapeutics using generative AI.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 14 | Treelinetreeline.bio HQ: Watertown, MA, United StatesReported employees: 51-200 | Watertown, MA, United States | 51-200 | Exact match | 164 contacts → |
“Treeline (or Treeline Biosciences) is a privately held, clinical-stage biopharma company that aspires to make medicines at the highest level.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 15 | X-Chem, INCx-chemrx.com HQ: Waltham, MA, United StatesReported employees: 201-500 | Waltham, MA, United States | 201-500 | Exact match | 156 contacts → |
“X-Chem is your preferred partner for innovative small molecule discovery.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 16 | D. E. Shaw Researchdeshawresearch.com HQ: New York, NY, United StatesReported employees: 51-200 | New York, NY, United States | 51-200 | Exact match | 149 contacts → |
“D.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 17 | Terray Therapeuticsterraytx.com HQ: Pasadena, CA, United StatesReported employees: 51-200 | Pasadena, CA, United States | 51-200 | Exact match | 128 contacts → |
“Terray is a biotechnology company with the technology, data, and mindset to radically change the way we discover and develop small molecule therapeutics.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 18 | Aganithaaganitha.ai HQ: Gilroy, CA, United StatesReported employees: 51-200 | Gilroy, CA, United States | 51-200 | Exact match | 124 contacts → |
“At Aganitha, we make AI work for Science.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 19 | Sail Biomedicinessail.bio HQ: Cambridge, MA, United StatesReported employees: 51-200 | Cambridge, MA, United States | 51-200 | Exact match | 123 contacts → |
“Sail Biomedicines is creating a new class of RNA medicines designed to instruct therapeutic activity directly inside a patient’s body and within selected cells.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 20 | Openeye, Cadence Molecular Scienceseyesopen.com HQ: Santa Fe, NM, United StatesReported employees: 51-200 | Santa Fe, NM, United States | 51-200 | Exact match | 121 contacts → |
“OpenEye, Cadence Molecular Sciences is an industry leader in computational molecular design based on decades of delivering rapid, robust, and scalable software, toolkits, and…” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 21 | Iambiciambic.ai HQ: San Diego, CA, United StatesReported employees: 51-200 | San Diego, CA, United States | 51-200 | Exact match | 121 contacts → |
“Iambic is a clinical-stage life sciences & technology company developing novel medicines using its AI-driven platform.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 22 | Septernasepterna.com HQ: South San Francisco, CA, United StatesReported employees: 51-200 | South San Francisco, CA, United States | 51-200 | Exact match | 119 contacts → |
“Septerna is on a mission to make the promise of future GPCR medicines a reality for patients.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 23 | Nimbus Therapeuticsnimbustx.com HQ: Boston, MA, United StatesReported employees: 51-200 | Boston, MA, United States | 51-200 | Exact match | 102 contacts → |
“Nimbus Therapeutics is a clinical-stage, structure-based drug discovery company developing novel small molecule medicines designed to act against well-validated but…” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 24 | Ventus Therapeuticsventustx.com HQ: Waltham, MA, United StatesReported employees: 11-50 | Waltham, MA, United States | 11-50 | Exact match | 101 contacts → |
“At Ventus, we are pioneering a unique approach to structure-based drug discovery to address biologically validated, but difficult-to-drug targets.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 25 | Intelligencia AIintelligencia.ai HQ: New York, NY, United StatesReported employees: 51-200 | New York, NY, United States | 51-200 | Exact match | 96 contacts → |
“Intelligencia AI uses artificial intelligence to de-risk drug development.” Recorded description excerpt · September 19, 2026Open company data in RevenueBase ↗Free signup required. | |||||
Showing 25 of 526 company matches
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Computational drug discovery companies: dataset insights
September 19, 2026These summaries describe recorded coverage in this saved dataset. This page is derived from saved source records; per-contact mobile coverage and email-recency results are not established by this snapshot.
Reported company sizes
526 records in the displayed employee bands.
0 matching records are outside the displayed bands or do not have a displayed size. Bars show shares of the displayed bands.
Email recency for this list is measured worldwide rather than for United States, so it is reported there. Company counts and contact totals on this page are exact for United States, over 526 companies.
How this company list was built
Describe a niche in your own words: companies installing commercial solar, or manufacturers of sustainable packaging. RevenueBase SmartSearch finds companies whose compiled business descriptions match by meaning. This list is one saved example to adapt.
Where the company descriptions come from
RevenueBase compiles company information from public sources, including company websites and public professional profiles such as LinkedIn, alongside information supplied by companies. The short recorded excerpt shown here is separate from the complete business description used for matching; individual source URLs and collection dates are not provided in this public snapshot.
RevenueBase SmartSearch matching settings
- Exact
- Closest fits to the business described.
- Similar
- Similar businesses with a wider range of fits.
- Related
- Related businesses in and around the category.
- Broad
- A broader set of businesses connected to the description.
RevenueBase SmartSearch · Exact match identifies inclusion in this search's closest semantic matching setting. It is not a per-company confidence score, a literal keyword match, or a quality endorsement.
Selection, ordering and scope
The public list shows selected company records with contact and verified-email coverage. Reported employee bands provide separate company-size context.
This page is derived from saved source records; per-contact mobile coverage and email-recency results are not established by this snapshot.
Recorded company descriptions support research; check company websites for current services. The selected preview is ordered by tracked contacts and is not a list of the best service providers.
Snapshot: September 19, 2026.
RevenueBase is a B2B data infrastructure company. Its September 3, 2026 published methodology describes a graph of 60 million companies and 398.9 million professional contacts; these platform figures differ from this page's totals. Published methodology ↗
Computational drug discovery companies by metro
Questions about this company list
What does Exact match mean for computational drug discovery companies?
The separate RevenueBase SmartSearch column identifies inclusion at the closest semantic matching preset. It is not a literal keyword match, a per-company confidence score or a quality endorsement. Changing the search form opens a new search in RevenueBase; it does not reclassify these saved rows.
How many computational drug discovery companies did RevenueBase find based in the United States?
The saved snapshot records 526 matching company records, 17,085 tracked contacts and 7,737 verified emails. The public preview displays 25 selected records.
Where do the company descriptions come from?
RevenueBase compiles company information from public sources, including company websites and public professional profiles such as LinkedIn, alongside information supplied by companies. The short recorded excerpt shown here is separate from the complete business description used for matching; individual source URLs and collection dates are not provided in this public snapshot.
How are the public companies ordered?
The selected public records are ordered by contacts tracked in RevenueBase, highest first. Contact coverage is a prospecting measure, not an assessment of the company's services or quality.
How can I get contact information?
Select a company's contact count to open its filtered contacts in RevenueBase. Free signup is required and includes 500 credits and limited free results. Verified emails, direct dials and mobile numbers depend on available coverage.
How current is this list?
Snapshot: September 19, 2026. Review each company's website for current services and locations. A recorded business description does not establish that every company offers every service named in the search.
What do headquarters and employee bands mean?
These are recorded company-level fields, rather than a map of every branch or a count of specialists. Missing headquarters or employee bands are labeled; older records may show a location separately from recorded headquarters.
Build your next target company list
Adapt this niche search and work with available contacts in RevenueBase.
Related lists
Computational drug discovery companies by geography
- Computational drug discovery companies based in Boston, United States
- Computational drug discovery companies based in Cambridge, United States
- Computational drug discovery companies based in New York, United States
- Computational drug discovery companies based in San Diego, United States
- Computational drug discovery companies based in San Francisco, United States
- Computational drug discovery companies based in Canada
- Computational drug discovery companies based in France
- Computational drug discovery companies based in Germany
- Computational drug discovery companies based in India
- Computational drug discovery companies based in Japan
- Computational drug discovery companies based in South Korea
- Computational drug discovery companies based in the United Kingdom
Cite this list
RevenueBase Data Team. Top 25 computational drug discovery companies based in the United States. Snapshot: September 19, 2026. https://revenuebase.ai/companies/computational-drug-discovery-companies/united-states.
This is a selected public preview of saved company records, rather than an independently verified census. Open the source page ↗
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