Company lists · Data refreshed September 2026

Top 25 Drug discovery simulation companies based in the United States

RevenueBase identified 412 company matches for drug discovery simulation companies associated with 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 company matches for drug discovery simulation 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.

How to read this list RevenueBase SmartSearch · Exact Recorded Sep 19, 2026 How this list was built
412Companies
13,067Contacts tracked
5,857Verified emails
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The 25 largest drug discovery simulation companies based in the United States

Ranked by team size
Top 25 of 412 company matches for drug discovery simulation companies based in the United States, ordered by professional contacts tracked in RevenueBase, largest first. Recorded Sep 19, 2026. The RevenueBase SmartSearch column shows Exact match membership in this saved search. Click a contact count to view that company's people. Totals use company locations recorded by RevenueBase; the displayed preview is a smaller selection.
#CompanyRevenueBase SmartSearchHeadquartersEmployeesContacts
1Exact matchWaltham, MA, United StatesHQ recorded Sep 19, 20261,001-5,0001,905 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
2Exact matchRadnor, PA, United StatesHQ recorded Sep 19, 20261,001-5,0001,237 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
3Exact matchNew York, NY, United StatesHQ recorded Sep 19, 2026501-1,000957 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
4Exact matchBoston, MA, United StatesHQ recorded Sep 19, 2026201-500281 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
5Exact matchCambridge, MA, United StatesHQ recorded Sep 19, 2026501-1,000224 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
6Exact matchLexington, MA, United StatesHQ recorded Sep 19, 202651-200191 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
7Exact matchDurham, NC, United StatesHQ recorded Sep 19, 2026201-500182 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
8Exact matchSouth San Francisco, CA, United StatesHQ recorded Sep 19, 202651-200179 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
9Exact matchVancouver, WA, United StatesHQ recorded Sep 19, 202651-200174 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
10Exact matchWaltham, MA, United StatesHQ recorded Sep 19, 2026201-500156 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
11Exact matchNew York, NY, United StatesHQ recorded Sep 19, 202651-200149 contacts →

Exact match

“D.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
12Exact matchPasadena, CA, United StatesHQ recorded Sep 19, 202651-200128 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
13Exact matchGilroy, CA, United StatesHQ recorded Sep 19, 202651-200124 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
14Exact matchSanta Fe, NM, United StatesHQ recorded Sep 19, 202651-200121 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
15Exact matchSouth San Francisco, CA, United StatesHQ recorded Sep 19, 202651-200119 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
16Exact matchCambridge, MA, United StatesHQ recorded Sep 19, 202651-200116 contacts →

Exact match

“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…”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
17Exact matchBoston, MA, United StatesHQ recorded Sep 19, 202651-200102 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
18Exact matchWaltham, MA, United StatesHQ recorded Sep 19, 202611-50101 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
19Exact matchBoston, MA, United StatesHQ recorded Sep 19, 202651-20093 contacts →

Exact match

“Metrum Research Group, established in 2004, is a global leader in biomedical modeling and simulation.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
20Exact matchBoston, OR, United StatesHQ recorded Sep 19, 202611-5084 contacts →

Exact match

“Drug Hunter™ is reinventing drug discovery intelligence for R&D-focused organizations turning molecules into medicines.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
21Exact matchSomerville, MA, United StatesHQ recorded Sep 19, 202651-20082 contacts →

Exact match

“Cellarity is fundamentally redesigning the way drugs are created.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
22Exact matchSouth San Francisco, CA, United StatesHQ recorded Sep 19, 202611-5075 contacts →

Exact match

“Circle Pharma initiated operations in June 2014 with seed funding from Pfizer, Inc.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
23Exact matchRockville, MD, United StatesHQ recorded Sep 19, 202651-20075 contacts →

Exact match

“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…”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
24Exact matchMonmouth Junction, NJ, United StatesHQ recorded Sep 19, 202651-20072 contacts →

Exact match

“Chemspace – Your Global Provider of Integrated Services!”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
25Exact matchSan Diego, CA, United StatesHQ recorded Sep 19, 202651-20069 contacts →

Exact match

“eMolecules is the leading online platform to buy specialty chemistry and hard-to-find molecules.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase

Showing 25 of 412 drug discovery simulation companies based in the United States

See the full list, filter by size, metro and specialty, and access 5,857 tracked professional contacts with verified work emails. Direct dials are available where recorded.

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Drug discovery simulation companies based in the United States at a glance

As of Sep 19, 2026
44.8%Verified-email coverage
31.7Average contacts per company
1-10Median size (employees)
7.8%Largest-city concentration · San Diego
Sep 19, 2026Page data refreshed

Companies by employee count

1-10
220
11-50
140
51-200
36
201-500
8
501-1,000
3
1,001-5,000
4
5,001-10,000
1

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

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 “drug discovery simulation 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 5,857 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.

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 “drug discovery simulation companies”; each Exact match badge shows search membership, not an individual similarity or quality score.

How many drug discovery simulation companies are there based in the United States?

RevenueBase identified 412 company matches for drug discovery simulation 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 drug discovery simulation companies?

San Diego leads with 32 company records, 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 limited free results with 500 credits to start. Upgrading provides access to the 5,857 professional contacts with verified work emails tracked across these 412 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.

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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 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.