Company lists · Data refreshed September 2026
Top 25 Drug discovery simulation companies based in the United States
RevenueBase identified 412 drug discovery simulation companies headquartered in the United States as of September 2026 and tracks 13,067 professional contacts across them, including 5,857 with verified work emails. San Diego is the largest hub.
This list covers drug discovery simulation companies headquartered in the United States, matched on what each company actually does as described in its own words. Ranked by team size, largest first. Every row shows the company's own description, its RevenueBase Smart Search rating, and when it was last checked. Data refreshed September 19, 2026.
Published by RevenueBase, a B2B data infrastructure company. This list was built with RevenueBase Smart Search, 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 drug discovery simulation companies based in the United States
Ranked by team size| # | Company | Contacts | |||
|---|---|---|---|---|---|
| 1 | 1,905 contacts → | ||||
Indirect evidence “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…” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 2 | 1,237 contacts → | ||||
Strong evidence “Certara accelerates medicines using proprietary biosimulation software, technology and services to transform traditional drug discovery and development.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 3 | 957 contacts → | ||||
Indirect evidence “Schrödinger’s industry-leading computational platform facilitates the research efforts of biopharmaceutical and industrial companies, academic institutions, and government…” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 4 | 281 contacts → | ||||
Indirect evidence “Insilico Medicine, a clinical stage biotech company powered by generative AI, is connecting biology, chemistry, and clinical trials analysis using next-generation AI systems.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 5 | 224 contacts → | ||||
Strong evidence “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…” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 6 | 191 contacts → | ||||
Strong evidence “Valo is a technology company built to transform drug discovery and development using large-scale data and AI-powered computation.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 7 | 182 contacts → | ||||
Strong evidence “Simulations Plus is a leading provider of modeling and simulation software and consulting services supporting drug discovery, development research, and regulatory submissions.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 8 | 179 contacts → | ||||
Indirect evidence “Xaira Therapeutics is an integrated biotechnology company driving advances in artificial intelligence to learn the language of life and transform how we treat disease.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 9 | 174 contacts → | ||||
Partial evidence “Absci is a data-first AI drug creation company designing differentiated therapeutics using generative AI.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 10 | 156 contacts → | ||||
Partial evidence “X-Chem is your preferred partner for innovative small molecule discovery.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 11 | 149 contacts → | ||||
Indirect evidence “D.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 12 | 128 contacts → | ||||
Partial evidence “Terray is a biotechnology company with the technology, data, and mindset to radically change the way we discover and develop small molecule therapeutics.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 13 | 124 contacts → | ||||
Indirect evidence “At Aganitha, we make AI work for Science.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 14 | 121 contacts → | ||||
Indirect evidence “OpenEye, Cadence Molecular Sciences is an industry leader in computational molecular design based on decades of delivering rapid, robust, and scalable software, toolkits, and…” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 15 | 119 contacts → | ||||
Indirect evidence “Septerna is on a mission to make the promise of future GPCR medicines a reality for patients.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 16 | 116 contacts → | ||||
Strong evidence “Pioneering Medicines, Flagship Pioneering’s in house drug discovery and development unit, is dedicated to conceiving and developing a broad portfolio of life-changing treatments…” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 17 | 102 contacts → | ||||
Strong evidence “Nimbus Therapeutics is a clinical-stage, structure-based drug discovery company developing novel small molecule medicines designed to act against well-validated but…” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 18 | 101 contacts → | ||||
Strong evidence “At Ventus, we are pioneering a unique approach to structure-based drug discovery to address biologically validated, but difficult-to-drug targets.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 19 | 93 contacts → | ||||
Partial evidence “Metrum Research Group, established in 2004, is a global leader in biomedical modeling and simulation.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 20 | 84 contacts → | ||||
Strong evidence “Drug Hunter™ is reinventing drug discovery intelligence for R&D-focused organizations turning molecules into medicines.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 21 | 82 contacts → | ||||
Partial evidence “Cellarity is fundamentally redesigning the way drugs are created.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 22 | 75 contacts → | ||||
Indirect evidence “Circle Pharma initiated operations in June 2014 with seed funding from Pfizer, Inc.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 23 | 75 contacts → | ||||
Partial evidence “RRD Biopharma Development is a drug development company with an alternative approach to achieving human-proof-of-concept (hPOC) that is intensely focused on minimizing time, risk…” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 24 | 72 contacts → | ||||
Indirect evidence “Chemspace – Your Global Provider of Integrated Services!” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 25 | 69 contacts → | ||||
Indirect evidence “eMolecules is the leading online platform to buy specialty chemistry and hard-to-find molecules.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
RevenueBase Smart Search
RevenueBase Smart Search assesses information from a company’s LinkedIn profile, information supplied directly by the company, its website, and other publicly available sources. It uses that information to rate how closely the company relates to this list’s category: drug discovery simulation companies. Every row carries its rating and the description the rating was read from, so each one can be checked rather than taken on trust.
- Strong evidence
- The company's own public description of its business names drug discovery simulation companies.
- Partial evidence
- Its own public description names part of drug discovery simulation companies, so it works in or next to the category without describing itself that way.
- Indirect evidence
- The description shown does not name drug discovery simulation companies. The match rests on the rest of the company's public profile rather than the one sentence quoted here, so this is the rating to check first.
RevenueBase Smart Search is how these lists are built: RevenueBase's data engine and AI assemble the companies that match a category defined in a user's own words, so a list can be about what companies actually do rather than about whichever industry code they were filed under.
Showing 25 of 412 drug discovery simulation companies based in the United States
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Drug discovery simulation 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 412 companies.
How this list was built
Company categories are rarely black and white. RevenueBase reads each company's own description of its business to decide whether it belongs among drug discovery simulation companies, so some rows will be adjacent to the category rather than pure plays. The description and RevenueBase Smart Search rating on every row are there so you can check each match yourself.
- Source
- The RevenueBase company graph: 60 million companies and 398.9 million professional contacts resolved from primary sources, queried with RevenueBase Smart Search, the natural-language company search available to every RevenueBase user.
- What qualifies
- Companies headquartered in the United States whose own description of what they do matches “drug discovery simulation companies”. Matching reads each company's description, not its industry code or its name.
- RevenueBase Smart Search
- RevenueBase Smart Search is how this list is assembled and how each row is rated. RevenueBase's data engine and AI assess a company's LinkedIn profile, information supplied directly by the company, its website and other publicly available information, then relate it to a category defined in a user's own words. Each row is rated strong evidence (its own description names drug discovery simulation companies), partial evidence (it names part of the category) or indirect evidence (the description shown names none of it and the match rests on the rest of the company's profile). The description supporting each rating is quoted on the row.
- What we exclude
- Companies whose own description does not clearly place them among drug discovery simulation companies, and records with no verified work email. Companies headquartered outside United States are excluded even when they keep an office there.
- Match quality
- In blind human judging of this matching method, 86% of matched companies were on target. Expect roughly 1 in 7 rows to be adjacent to the category rather than a pure play. Every row shows the company's own description and its RevenueBase Smart Search rating so you can judge each match yourself. Read the full methodology: how the lists are built, how the judging worked, and what the figure means.
- 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 listed company carries at least one verified work email, 5,857 across the full list. 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.
- Corrections
- Wrong category, wrong headquarters, or a company that has closed? Use “Report an issue” on any row. Reports go to the RevenueBase Data Team and feed back into the company graph.
Drug discovery simulation companies by metro
- Drug discovery simulation companies in San Diego32
- Drug discovery simulation companies in Boston29
Frequently asked
What is RevenueBase Smart Search?
RevenueBase Smart Search is how RevenueBase decides which companies belong on this list and how strongly each one fits. Its data engine and AI assess a company's LinkedIn profile, information supplied directly by the company, its website and other publicly available information, then relate it to the category the list is about. Each row is rated strong evidence when the company's own description names drug discovery simulation companies, partial evidence when it names part of the category, and indirect evidence when the description shown names none of it and the match rests on the rest of the company's profile.
How many drug discovery simulation companies are there based in the United States?
RevenueBase identified 412 drug discovery simulation companies headquartered in the United States as of September 2026, matched on each company's own description of what it does rather than its industry code.
What is the largest company on this list?
Arisglobal, headquartered in Waltham, tops this list with the largest team on record.
Which city has the most drug discovery simulation companies?
San Diego leads with 32 headquartered companies, followed by Boston (29) and San Francisco (24).
How do I get contact information for these companies?
A free RevenueBase account lets you run this exact search and work the top results, verified emails and direct dials included. Upgrading unlocks all 5,857 verified decision-maker contacts tracked across these 412 companies.
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.
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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 Smart Search, 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.
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- Drug discovery simulation companies based in Canada
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