Company lists · Data refreshed September 2026

Top 25 Drug discovery software companies based in the United States

RevenueBase identified 550 company matches for drug discovery software companies associated with the United States as of September 2026 and tracks 13,322 professional contacts across them, including 6,063 with verified work emails and 4,537 with mobile numbers. San Diego is the largest hub.

This list covers company matches for drug discovery software 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 1, 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 1, 2026 How this list was built
550Companies
13,322Contacts tracked
6,063Verified emails
4,537Mobile numbers
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The 25 largest drug discovery software companies based in the United States

Ranked by team size
Top 25 of 550 company matches for drug discovery software companies based in the United States, ordered by professional contacts tracked in RevenueBase, largest first. Recorded Sep 1, 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 States1,001-5,0001,903 contacts →

Exact match

“ArisGlobal is transforming the way today’s most successful life sciences companies develop breakthroughs and bring new products to market.”

Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase
2Exact matchBlue Bell, PA, United States1,001-5,0001,244 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 1, 2026 · View company records in RevenueBase
3Exact matchBasking Ridge, NJ, United States51-200310 contacts →

Exact match

“Corporate Overview Lexicon Pharmaceuticals is a biopharmaceutical company that has harnessed the power of genetics for drug discovery.”

Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase
4Exact matchSan Diego, CA, United States201-500273 contacts →

Exact match

Recorded description not available.

Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase
5Exact matchSan Diego, CA, United States201-500200 contacts →

Exact match

“Chemaxon is a leading cheminformatics company, setting the industry standard for quality and accuracy.”

Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase
6Exact matchWatertown, MA, United States51-200193 contacts →

Exact match

“Founded in Cyprotex has grown to become an industry leader in in vitro and in silico ADME-Tox.”

Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase
7Exact matchNew York, NY, United States51-200192 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 1, 2026 · View company records in RevenueBase
8Exact matchHouston, TX, United States1,001-5,000187 contacts →

Exact match

“Welcome to Selleck Chemicals!”

Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase
9Exact matchDurham, NC, United States201-500183 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 1, 2026 · View company records in RevenueBase
10Exact matchSouth San Francisco, CA, United States51-200175 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 1, 2026 · View company records in RevenueBase
11Exact matchWatertown, MA, United States51-200164 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 1, 2026 · View company records in RevenueBase
12Exact matchNew York, NY, United States51-200148 contacts →

Exact match

“D.”

Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase
13Exact matchAlabaster, AL, United States201-500135 contacts →

Exact match

“Croda formulates its purpose as 'Smart science to improve lives™'.”

Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase
14Exact matchPasadena, CA, United States51-200133 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 1, 2026 · View company records in RevenueBase
15Exact matchBoston, MA, United States51-200122 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 1, 2026 · View company records in RevenueBase
16Exact matchHatfield, PA, United States1,001-5,000121 contacts →

Exact match

“PharmaBlock was officially operated in 2008 as a provider of drug-like small molecule building blocks and has since evolved into a fully integrated CRDMO partner following its IPO…”

Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase
17Exact matchSan Diego, CA, United States51-200120 contacts →

Exact match

“Biosero develops science-centric software and laboratory automation solutions that help researchers orchestrate discovery.”

Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase
18Exact matchSouth San Francisco, CA, United States51-200118 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 1, 2026 · View company records in RevenueBase
19Exact matchCambridge, MA, United States51-200113 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 1, 2026 · View company records in RevenueBase
20Exact matchBoston, MA, United States51-200105 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 1, 2026 · View company records in RevenueBase
21Exact matchSomerville, MA, United States51-20097 contacts →

Exact match

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

Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase
22Exact matchBoston, MA, United States51-20093 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 1, 2026 · View company records in RevenueBase
23Exact matchBurlingame, CA, United States51-20092 contacts →

Exact match

“Collaborative Drug Discovery's CDD VAULT is a hosted biological and chemical database that securely manages your private and external data.”

Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase
24Exact matchSouth San Francisco, CA, United States51-20090 contacts →

Exact match

“Frontier Medicines, located in South San Francisco, CA and Boston, MA, is a precision medicine company that has pioneered a powerful discovery and development platform designed to…”

Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase
25Exact matchBoston, MA, United States51-20090 contacts →

Exact match

“Jnana Therapeutics is a clinical-stage biotechnology company leveraging its next-generation chemoproteomics RAPID platform to discover medicines for highly validated…”

Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase

Showing 25 of 550 drug discovery software companies based in the United States

See the full list, filter by size, metro and specialty, and access 6,063 tracked professional contacts with verified work emails. Direct dials are available where recorded.

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

As of Sep 1, 2026
45.5%Verified-email coverage
34.1%Mobile-number coverage
24.2Average contacts per company
1-10Median size (employees)
8.5%Largest-city concentration · San Diego
Sep 1, 2026Page data refreshed

Companies by employee count

1-10
286
11-50
192
51-200
54
201-500
11
501-1,000
1
1,001-5,000
5
5,001-10,000
1

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 software 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 6,063 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 1, 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 software companies”; each Exact match badge shows search membership, not an individual similarity or quality score.

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

RevenueBase identified 550 company matches for drug discovery software 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 software companies?

San Diego leads with 47 company records, followed by San Francisco (37) and Boston (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 6,063 professional contacts with verified work emails tracked across these 550 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 1, 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.