Company lists · Data refreshed September 2026
Top 22 Chemical structure database companies based in the United States
RevenueBase identified 62 chemical structure database companies headquartered in the United States as of September 2026 and tracks 678 professional contacts across them, including 285 with verified work emails. San Diego is the largest hub.
This list covers chemical structure database 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 27, 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 22 largest chemical structure database companies based in the United States
Ranked by team size| # | Company | Contacts | |||
|---|---|---|---|---|---|
| 1 | 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 27, 2026Thanks. The Data Team will review it. | |||||
| 2 | 91 contacts → | ||||
Strong evidence “Collaborative Drug Discovery's CDD VAULT is a hosted biological and chemical database that securely manages your private and external data.” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 3 | 69 contacts → | ||||
Indirect evidence “eMolecules is the leading online platform to buy specialty chemistry and hard-to-find molecules.” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 4 | 51 contacts → | ||||
Partial evidence “About Us Headquartered in New Jersey, USA, ChemScence is a global leading manufacturer and supplier of building blocks and fine research chemicals.” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 5 | 41 contacts → | ||||
Indirect evidence “Scilligence is a leading innovator of cross-platform, mobile cheminformatics and bioinformatics software solutions.” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 6 | 23 contacts → | ||||
Indirect evidence “Nanosyn, provider of Chemistry on Demand services, is a medicinal chemistry based organization providing made-to-order focused compound libraries, hit-to-lead optimization…” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 7 | 20 contacts → | ||||
Partial evidence “ChemBridge Corporation is a global provider of enabling chemistry products and contract research services for small molecule drug discovery and chemical biology research.” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 8 | 11 contacts → | ||||
Indirect evidence “Synthonix focuses on inspiring medicinal chemists to push the boundaries of drug discovery.” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 9 | 11 contacts → | ||||
Indirect evidence “The mission of Conifer Point is to be the premier provider of web-based, drug design tools so that researchers can access rigorous molecular modeling in user friendly format.” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 10 | 6 contacts → | ||||
Strong evidence “Advancing the exchange and availability of chemical information by providing chemists with a platform for drawing molecular structures and managing chemical information.” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 11 | 5 contacts → | ||||
Indirect evidence “Examol is developing an integrated data, method and workflow platform for computational drug discovery in the small molecule space.” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 12 | 4 contacts → | ||||
Indirect evidence “SilcsBio provides software and services for unlocking the full potential of computer driven drug design.” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 13 | 4 contacts → | ||||
Indirect evidence “VERACHEM LLC is a biotechnology company based out of P.O.” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 14 | 3 contacts → | ||||
Partial evidence “Chemformation is a one-of-a-kind, online resource for fast and accurate data on chemical products and ingredients covering a variety of industries.” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 15 | 3 contacts → | ||||
Indirect evidence “Heterocyclics is on the move generating novel ideas and synthesizing new molecular entities.” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 16 | 3 contacts → | ||||
Indirect evidence “Actyon Discovery, Inc.(Actyon) is a digital drug discovery company focused on the design, validation, and advancement of new drugs based on novel scaffolds from unexplored…” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 17 | 2 contacts → | ||||
Indirect evidence “iChemLabs™ produces high quality applications and libraries that are both accessible and affordable to students and scientists.” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 18 | 2 contacts → | ||||
Indirect evidence Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 19 | 2 contacts → | ||||
Indirect evidence “At Kimia Science, our mission is to provide tools that simplify complex research processes and meet the real-world needs of academics and industry professionals.” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 20 | 1 contacts → | ||||
Indirect evidence “ComputChem is a technology company building next-generation platform solutions for in silico covalent drug discovery design and lead optimization.” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 21 | 1 contacts → | ||||
Indirect evidence “ToxTrack develops cheminformatics technologies that empower industry, government and academia to satisfy toxicological requirements more quickly and effectively.” Source: RevenueBase Database · checked Sep 27, 2026Thanks. The Data Team will review it. | |||||
| 22 | 1 contacts → | ||||
Strong evidence “We are experts at understanding how molecular structure and composition determine the physical properties of chemicals and at how physical properties can be manipulated to design…” Source: RevenueBase Database · checked Sep 27, 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: chemical structure database 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 chemical structure database companies.
- Partial evidence
- Its own public description names part of chemical structure database companies, so it works in or next to the category without describing itself that way.
- Indirect evidence
- The description shown does not name chemical structure database 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 22 of 62 chemical structure database companies based in the United States
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Chemical structure database companies based in the United States at a glance
As of Sep 27, 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 62 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 chemical structure database 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 “chemical structure database 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 chemical structure database 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 chemical structure database 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, 285 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 27, 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.
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 chemical structure database 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 chemical structure database companies are there based in the United States?
RevenueBase identified 62 chemical structure database 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?
Openeye, Cadence Molecular Sciences, headquartered in Santa Fe, tops this list with the largest team on record.
Which city has the most chemical structure database companies?
San Diego leads with 7 headquartered companies, followed by Irvine (3) and Baltimore (2).
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 285 verified decision-maker contacts tracked across these 62 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 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 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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