Company lists · Data refreshed September 2026
Top 25 Drug design software companies worldwide
RevenueBase identified 461 drug design software companies worldwide as of September 2026 and tracks 12,523 professional contacts across them, including 5,243 with verified work emails and 2,640 with mobile numbers. The United States is the largest market and London the largest hub.
This list covers drug design software companies worldwide, 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 1, 2026. Country and city lists for drug design software companies follow the table.
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 design software companies worldwide
Ranked by team size| # | Company | Contacts | |||
|---|---|---|---|---|---|
| 1 | 1,903 contacts → | ||||
Indirect evidence “ArisGlobal is transforming the way today’s most successful life sciences companies develop breakthroughs and bring new products to market.” Source: RevenueBase Database · checked Sep 1, 2026Thanks. The Data Team will review it. | |||||
| 2 | 1,244 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 1, 2026Thanks. The Data Team will review it. | |||||
| 3 | 680 contacts → | ||||
Partial evidence “Aptuit, an Evotec company, is a pharmaceutical services provider that offers the most complete set of integrated early discovery to mid-phase drug development solutions by…” Source: RevenueBase Database · checked Sep 1, 2026Thanks. The Data Team will review it. | |||||
| 4 | 353 contacts → | ||||
Indirect evidence “Jubilant Chemsys Ltd (JCL); a company registered under the Indian Companies Act, 1956 offers services in synthetic, organic and medicinal chemistry areas to various pharmaceutical…” Source: RevenueBase Database · checked Sep 1, 2026Thanks. The Data Team will review it. | |||||
| 5 | 330 contacts → | ||||
Partial evidence “We develop and apply fragment and structure-based methods to solve problems in drug discovery, and have generated cell active lead compounds and development candidates against…” Source: RevenueBase Database · checked Sep 1, 2026Thanks. The Data Team will review it. | |||||
| 6 | 324 contacts → | ||||
Indirect evidence “Isomorphic Labs is here to advance human health by building on and beyond the Nobel-winning AlphaFold system.” Source: RevenueBase Database · checked Sep 1, 2026Thanks. The Data Team will review it. | |||||
| 7 | 263 contacts → | ||||
Indirect evidence Source: RevenueBase Database · checked Sep 1, 2026Thanks. The Data Team will review it. | |||||
| 8 | 200 contacts → | ||||
Indirect evidence “Chemaxon is a leading cheminformatics company, setting the industry standard for quality and accuracy.” Source: RevenueBase Database · checked Sep 1, 2026Thanks. The Data Team will review it. | |||||
| 9 | 185 contacts → | ||||
Indirect evidence “Advanced Chemistry Development, Inc,(ACD/Labs) develops and commercialzes informatics solutions for chemical, biochemical, and pharmaceutical R&D.” Source: RevenueBase Database · checked Sep 1, 2026Thanks. The Data Team will review it. | |||||
| 10 | 183 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 1, 2026Thanks. The Data Team will review it. | |||||
| 11 | 148 contacts → | ||||
Indirect evidence “D.” Source: RevenueBase Database · checked Sep 1, 2026Thanks. The Data Team will review it. | |||||
| 12 | 148 contacts → | ||||
Indirect evidence “Accelerating molecular discovery through the power of Chemputation.” Source: RevenueBase Database · checked Sep 1, 2026Thanks. The Data Team will review it. | |||||
| 13 | 136 contacts → | ||||
Partial evidence “Proteros is an early drug discovery partner for even the most technically challenging targets, from target through to lead progression.” Source: RevenueBase Database · checked Sep 1, 2026Thanks. The Data Team will review it. | |||||
| 14 | 122 contacts → | ||||
Strong 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 1, 2026Thanks. The Data Team will review it. | |||||
| 15 | 105 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 1, 2026Thanks. The Data Team will review it. | |||||
| 16 | 101 contacts → | ||||
Partial evidence “Deep Genomics collaborates across disciplines to solve hard molecular design and target biology problems historically requiring slow, empirical iteration.” Source: RevenueBase Database · checked Sep 1, 2026Thanks. The Data Team will review it. | |||||
| 17 | 99 contacts → | ||||
Partial 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 1, 2026Thanks. The Data Team will review it. | |||||
| 18 | 97 contacts → | ||||
Partial evidence “Cresset® is revolutionizing molecule design and cross-team communication, combining cutting-edge science with AI/ML to enable our customers to discover new compounds faster and…” Source: RevenueBase Database · checked Sep 1, 2026Thanks. The Data Team will review it. | |||||
| 19 | 94 contacts → | ||||
Partial evidence “Domainex is a fully integrated drug discovery service company based near Cambridge, UK serving pharmaceutical, biotechnology, academic and patient foundations globally.” Source: RevenueBase Database · checked Sep 1, 2026Thanks. The Data Team will review it. | |||||
| 20 | 93 contacts → | ||||
Indirect evidence “Metrum Research Group, established in 2004, is a global leader in biomedical modeling and simulation.” Source: RevenueBase Database · checked Sep 1, 2026Thanks. The Data Team will review it. | |||||
| 21 | 92 contacts → | ||||
Partial 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 1, 2026Thanks. The Data Team will review it. | |||||
| 22 | 90 contacts → | ||||
Partial evidence “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…” Source: RevenueBase Database · checked Sep 1, 2026Thanks. The Data Team will review it. | |||||
| 23 | 86 contacts → | ||||
Partial evidence “Founded in 2013, BioAscent is a leading provider of integrated drug discovery services based at the former Organon / MSD R&D site in Newhouse, Scotland, UK.” Source: RevenueBase Database · checked Sep 1, 2026Thanks. The Data Team will review it. | |||||
| 24 | 79 contacts → | ||||
Partial evidence “Mission Our mission is to provide cost-effective drug discovery resources that are led and managed by US-based drug discovery leaders to transform the efficiency of drug discovery…” Source: RevenueBase Database · checked Sep 1, 2026Thanks. The Data Team will review it. | |||||
| 25 | 76 contacts → | ||||
Strong evidence “We are a leader in artificial intelligence and robotic solutions applied to research in medicinal chemistry and new drug design.” Source: RevenueBase Database · checked Sep 1, 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 design software 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 design software companies.
- Partial evidence
- Its own public description names part of drug design software companies, so it works in or next to the category without describing itself that way.
- Indirect evidence
- The description shown does not name drug design software 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 461 drug design software companies worldwide
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Drug design software companies worldwide at a glance
As of Sep 1, 2026Companies by employee count
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 design software 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.
- Coverage
- 6 countries, largest first: the United States, the United Kingdom, India, France, Germany, Canada. Country and city lists for drug design software companies are linked below.
- What qualifies
- Companies worldwide whose own description of what they do matches “drug design software 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 design software 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 design software companies, and records with no verified work email.
- 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, 5,243 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 between September 1, 2026 and September 14, 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 design software companies by location
6 lists · largest firstEvery Drug design software companies list RevenueBase publishes, by country and city. Counts are matching companies in each list as of its own refresh date.
Countries
- Drug design software companies based in the United States245
- Drug design software companies based in the United Kingdom80
- Drug design software companies based in India38
- Drug design software companies based in France33
- Drug design software companies based in Germany33
- Drug design software companies based in Canada32
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 design software 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 design software companies are there worldwide?
RevenueBase identified 461 drug design software companies worldwide 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 country has the most drug design software companies?
The United States leads with 245 companies, followed by the United Kingdom (80) and India (38). Every drug design software companies list by country and city is linked on this page.
Which city has the most drug design software companies?
London leads with 26 headquartered companies, followed by San Diego (21) and Boston (19).
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 5,243 verified decision-maker contacts tracked across these 461 companies.
How current is this list?
The list refreshes periodically as the company graph is re-checked. This page's figures were pulled from the company graph between September 1, 2026 and September 14, 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.