Company lists · Data refreshed September 2026

Top 25 Cheminformatics software companies based in the United States

RevenueBase identified 432 company matches for cheminformatics software companies associated with the United States as of September 2026 and tracks 16,896 professional contacts across them, including 7,011 with verified work emails. San Diego is the largest hub.

This list covers company matches for cheminformatics 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 27, 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 27, 2026 How this list was built
432Companies
16,896Contacts tracked
7,011Verified emails
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The 25 largest cheminformatics software companies based in the United States

Ranked by team size
Top 25 of 432 company matches for cheminformatics software companies based in the United States, ordered by professional contacts tracked in RevenueBase, largest first. Recorded Sep 27, 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 matchColumbus, OH, United StatesHQ recorded Sep 27, 20261,001-5,0002,898 contacts →

Exact match

“CAS is a leader in scientific information solutions and a division of the American Chemical Society.”

Recorded in the RevenueBase company graph · Sep 27, 2026 · View company records in RevenueBase
2Exact matchWaltham, MA, United StatesHQ recorded Sep 27, 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 27, 2026 · View company records in RevenueBase
3Exact matchRadnor, PA, United StatesHQ recorded Sep 27, 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 27, 2026 · View company records in RevenueBase
4Exact matchNew York, NY, United StatesHQ recorded Sep 27, 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 27, 2026 · View company records in RevenueBase
5Exact matchIselin, NJ, United StatesHQ recorded Sep 27, 2026501-1,000894 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 27, 2026 · View company records in RevenueBase
6Exact matchTorrance, CA, United StatesHQ recorded Sep 27, 20261,001-5,000660 contacts →

Exact match

“Phenomenex is a global technology leader committed to developing novel analytical chemistry solutions that solve the separation and purification challenges of researchers in…”

Recorded in the RevenueBase company graph · Sep 27, 2026 · View company records in RevenueBase
7Exact matchBoston, MA, United StatesHQ recorded Sep 27, 2026501-1,000405 contacts →

Exact match

“Dotmatics is the global leader in R&D scientific software that connects science, data, and decision-making.”

Recorded in the RevenueBase company graph · Sep 27, 2026 · View company records in RevenueBase
8Exact matchMiddleton, WI, United StatesHQ recorded Sep 27, 2026501-1,000389 contacts →

Exact match

“Gilson provides high quality, dependable solutions for today's demanding liquid chromatography, solid phase extraction, liquid handling and gel permeation chromatography clean-up…”

Recorded in the RevenueBase company graph · Sep 27, 2026 · View company records in RevenueBase
9Exact matchCharlestown, MA, United StatesHQ recorded Sep 27, 2026501-1,000369 contacts →

Exact match

“Velsera was formed in 2023 through the shared vision of Seven Bridges and Pierian, with a mission to accelerate the discovery, development, and delivery of life-changing insights.”

Recorded in the RevenueBase company graph · Sep 27, 2026 · View company records in RevenueBase
10Exact matchFoster City, CA, United StatesHQ recorded Sep 27, 202651-200194 contacts →

Exact match

“PointCross Inc, founded in 2007 out of Foster City, CA, is a software company built to provide the life science industry solutions in big data analytics, management, and…”

Recorded in the RevenueBase company graph · Sep 27, 2026 · View company records in RevenueBase
11Exact matchHouston, TX, United StatesHQ recorded Sep 27, 20261,001-5,000187 contacts →

Exact match

“Welcome to Selleck Chemicals!”

Recorded in the RevenueBase company graph · Sep 27, 2026 · View company records in RevenueBase
12Exact matchNew Castle, DE, United StatesHQ recorded Sep 27, 202651-200182 contacts →

Exact match

“Adesis Inc.”

Recorded in the RevenueBase company graph · Sep 27, 2026 · View company records in RevenueBase
13Exact matchDurham, NC, United StatesHQ recorded Sep 27, 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 27, 2026 · View company records in RevenueBase
14Exact matchWaltham, MA, United StatesHQ recorded Sep 27, 2026201-500156 contacts →

Exact match

“X-Chem is your preferred partner for innovative small molecule discovery.”

Recorded in the RevenueBase company graph · Sep 27, 2026 · View company records in RevenueBase
15Exact matchBangor, PA, United StatesHQ recorded Sep 27, 2026201-500152 contacts →

Exact match

“BioSpectra Inc.(BSI), is a privately-owned manufacturer of premium pharmaceutical ingredients and bulk, cGMP fine chemicals, in service to many leading BioPharma companies around…”

Recorded in the RevenueBase company graph · Sep 27, 2026 · View company records in RevenueBase
16Exact matchNew York, NY, United StatesHQ recorded Sep 27, 202651-200149 contacts →

Exact match

“D.”

Recorded in the RevenueBase company graph · Sep 27, 2026 · View company records in RevenueBase
17Exact matchPrinceton, NJ, United StatesHQ recorded Sep 27, 202651-200139 contacts →

Exact match

“NJ Bio Inc.”

Recorded in the RevenueBase company graph · Sep 27, 2026 · View company records in RevenueBase
18Exact matchPasadena, CA, United StatesHQ recorded Sep 27, 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 27, 2026 · View company records in RevenueBase
19Exact matchGilroy, CA, United StatesHQ recorded Sep 27, 202651-200124 contacts →

Exact match

“At Aganitha, we make AI work for Science.”

Recorded in the RevenueBase company graph · Sep 27, 2026 · View company records in RevenueBase
20Exact matchSanta Fe, NM, United StatesHQ recorded Sep 27, 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 27, 2026 · View company records in RevenueBase
21Exact matchBoston, MA, United StatesHQ recorded Sep 27, 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 27, 2026 · View company records in RevenueBase
22Exact matchPortland, OR, United StatesHQ recorded Sep 27, 202651-20095 contacts →

Exact match

“Kanto is the leading reagent manufacturer worldwide.”

Recorded in the RevenueBase company graph · Sep 27, 2026 · View company records in RevenueBase
23Exact matchSouth San Francisco, MA, United StatesHQ recorded Sep 27, 202651-20091 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 27, 2026 · View company records in RevenueBase
24Exact matchBurlingame, CA, United StatesHQ recorded Sep 27, 202651-20091 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 27, 2026 · View company records in RevenueBase
25Exact matchParsippany, NJ, United StatesHQ recorded Sep 27, 202651-20083 contacts →

Exact match

“For more than fifty years, OLI has helped engineers predict and solve the world’s toughest chemistry problems.”

Recorded in the RevenueBase company graph · Sep 27, 2026 · View company records in RevenueBase

Showing 25 of 432 cheminformatics software companies based in the United States

See the full list, filter by size, metro and specialty, and access 7,011 tracked professional contacts with verified work emails. Direct dials are available where recorded.

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Cheminformatics software companies based in the United States at a glance

As of Sep 27, 2026
41.5%Verified-email coverage
39.1Average contacts per company
1-10Median size (employees)
6.5%Largest-city concentration · San Diego
Sep 27, 2026Page data refreshed

Companies by employee count

1-10
217
11-50
123
51-200
62
201-500
10
501-1,000
11
1,001-5,000
6
5,001-10,000
1
10001+
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 432 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 “cheminformatics 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 7,011 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 27, 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 “cheminformatics software companies”; each Exact match badge shows search membership, not an individual similarity or quality score.

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

RevenueBase identified 432 company matches for cheminformatics 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?

CAS tops the displayed preview by professional contacts tracked in RevenueBase. Recorded headquarters appear in the company rows.

Which city has the most cheminformatics software companies?

San Diego leads with 28 company records, followed by Boston (15) and New York (11).

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 7,011 professional contacts with verified work emails tracked across these 432 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 27, 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.