Company lists · Data refreshed September 2026
Top 25 Computational drug discovery companies worldwide
RevenueBase identified 1,547 computational drug discovery companies worldwide as of September 2026 and tracks 36,823 professional contacts across them, including 15,895 with verified work emails. The United States is the largest market and Cambridge the largest hub.
This list covers computational drug discovery 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 19, 2026. Country and city lists for computational drug discovery 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 computational drug discovery companies worldwide
Ranked by team size| # | Company | Contacts | |||
|---|---|---|---|---|---|
| 1 | 3,036 contacts → | ||||
Strong evidence “Evotec is a biotechnology company that is committed to advancing drug discovery and development.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 2 | 1,905 contacts → | ||||
Indirect evidence “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…” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 3 | 1,237 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 19, 2026Thanks. The Data Team will review it. | |||||
| 4 | 1,019 contacts → | ||||
Indirect evidence “TCG Lifesciences Pvt.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 5 | 957 contacts → | ||||
Partial evidence “Schrödinger’s industry-leading computational platform facilitates the research efforts of biopharmaceutical and industrial companies, academic institutions, and government…” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 6 | 894 contacts → | ||||
Partial evidence “Discover how Excelra, a leader in biopharma data and analytics, uniquely blends scientific understanding with technological expertise.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 7 | 839 contacts → | ||||
Indirect evidence “We are rebuilding biotech for the AI era.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 8 | 678 contacts → | ||||
Strong 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 19, 2026Thanks. The Data Team will review it. | |||||
| 9 | 521 contacts → | ||||
Strong evidence “Founded in 2005, o2h discovery is a Contract Research Organisation which has an integrated drug discovery platform operating from our state-of-the-art research centre in India and…” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 10 | 386 contacts → | ||||
Indirect evidence “Genedata transforms biopharma data into intelligence.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 11 | 370 contacts → | ||||
Partial evidence “nference leverages the top academic minds, world-class researchers, and real-time access to multimodal, patient-level data to accelerate drug development innovation, generate…” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 12 | 360 contacts → | ||||
Indirect evidence “Enveda is a biotechnology company that is learning from life’s chemistry to create better medicines faster.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 13 | 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 19, 2026Thanks. The Data Team will review it. | |||||
| 14 | 347 contacts → | ||||
Strong evidence “Novalix is a premier drug discovery partner to biotech firms and pharmaceutical companies.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 15 | 333 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 19, 2026Thanks. The Data Team will review it. | |||||
| 16 | 330 contacts → | ||||
Strong 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 19, 2026Thanks. The Data Team will review it. | |||||
| 17 | 298 contacts → | ||||
Indirect evidence “BenchSci’s vision is to exponentially increase the speed and quality of life-saving research by empowering scientists with the world’s most advanced biomedical artificial…” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 18 | 281 contacts → | ||||
Indirect evidence “Insilico Medicine, a clinical stage biotech company powered by generative AI, is connecting biology, chemistry, and clinical trials analysis using next-generation AI systems.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 19 | 266 contacts → | ||||
Indirect evidence Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 20 | 224 contacts → | ||||
Strong evidence “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…” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 21 | 196 contacts → | ||||
Strong evidence “At PI Health Sciences, we provide fully integrated drug discovery solutions, combining synthetic and medicinal chemistry, biology, and AI-driven technologies.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 22 | 195 contacts → | ||||
Strong evidence “Premas is developing transformational technologies and partnering with pharmaceutical companies around the world to expedite their drug discovery programs by cutting down…” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 23 | 191 contacts → | ||||
Strong evidence “Valo is a technology company built to transform drug discovery and development using large-scale data and AI-powered computation.” Source: RevenueBase Database · checked Sep 19, 2026Thanks. The Data Team will review it. | |||||
| 24 | 184 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 19, 2026Thanks. The Data Team will review it. | |||||
| 25 | 183 contacts → | ||||
Indirect evidence “Chemaxon is a leading cheminformatics company, setting the industry standard for quality and accuracy.” Source: RevenueBase Database · checked Sep 19, 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: computational drug discovery 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 computational drug discovery companies.
- Partial evidence
- Its own public description names part of computational drug discovery companies, so it works in or next to the category without describing itself that way.
- Indirect evidence
- The description shown does not name computational drug discovery 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 1,547 computational drug discovery companies worldwide
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Computational drug discovery companies worldwide at a glance
As of Sep 19, 2026Companies by employee count
Email recency is reported on each country list linked below.
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 computational drug discovery 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
- Every country. Country and city lists for computational drug discovery companies are linked below.
- What qualifies
- Companies worldwide whose own description of what they do matches “computational drug discovery 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 computational drug discovery 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 computational drug discovery 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, 15,895 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 19, 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.
Computational drug discovery companies by location
13 lists · largest firstEvery Computational drug discovery companies list RevenueBase publishes, by country and city. Counts are matching companies in each list as of its own refresh date.
Countries
- Computational drug discovery companies based in the United States526
- Computational drug discovery companies based in the United Kingdom119
- Computational drug discovery companies based in India86
- Computational drug discovery companies based in Canada64
- Computational drug discovery companies based in Germany47
- Computational drug discovery companies based in France45
- Computational drug discovery companies based in Japan29
- Computational drug discovery companies based in South Korea27
Cities
- Computational drug discovery companies based in Boston, United States42
- Computational drug discovery companies based in San Francisco, United States40
- Computational drug discovery companies based in San Diego, United States34
- Computational drug discovery companies based in Cambridge, United States28
- Computational drug discovery companies based in New York, United States28
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 computational drug discovery 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 computational drug discovery companies are there worldwide?
RevenueBase identified 1,547 computational drug discovery 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?
Evotec, headquartered in Hamburg, tops this list with the largest team on record.
Which country has the most computational drug discovery companies?
The United States leads with 526 companies, followed by the United Kingdom (119) and India (86). Every computational drug discovery companies list by country and city is linked on this page.
Which city has the most computational drug discovery companies?
Cambridge leads with 49 headquartered companies, followed by Boston (43) and London (41).
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 15,895 verified decision-maker contacts tracked across these 1,547 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 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 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.