Company lists · Data refreshed October 2026

Top 25 Drug discovery software companies worldwide

RevenueBase identified 1,582 company matches for drug discovery software companies worldwide as of October 2026 and tracks 35,641 professional contacts across them, including 15,358 with verified work emails. The United States is the largest market and Cambridge the largest hub.

This list covers company matches for drug discovery software companies worldwide, 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 October 1, 2026. Country and city lists for drug discovery software companies follow the table.

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 Oct 1, 2026 How this list was built
1,582Companies
35,641Contacts tracked
15,358Verified emails
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The 25 largest drug discovery software companies worldwide

Ranked by team size
Top 25 of 1,582 company matches for drug discovery software companies worldwide, ordered by professional contacts tracked in RevenueBase, largest first. Recorded Oct 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 matchHamburg, GermanyHQ recorded Oct 1, 20265,001-10,0003,036 contacts →

Exact match

“Evotec is a biotechnology company that is committed to advancing drug discovery and development.”

Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase
2Exact matchWaltham, MA, United StatesHQ recorded Oct 1, 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 · Oct 1, 2026 · View company records in RevenueBase
3Exact matchRadnor, PA, United StatesHQ recorded Oct 1, 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 · Oct 1, 2026 · View company records in RevenueBase
4Exact matchNew York, NY, United StatesHQ recorded Oct 1, 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 · Oct 1, 2026 · View company records in RevenueBase
5Exact matchIselin, NJ, United StatesHQ recorded Oct 1, 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 · Oct 1, 2026 · View company records in RevenueBase
6Exact matchVerona, ItalyHQ recorded Oct 1, 2026501-1,000678 contacts →

Exact match

“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…”

Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase
7Exact matchCambridge, United KingdomHQ recorded Oct 1, 2026501-1,000521 contacts →

Exact match

“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…”

Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase
8Exact matchBoston, MA, United StatesHQ recorded Oct 1, 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 · Oct 1, 2026 · View company records in RevenueBase
9Exact matchBasel, SwitzerlandHQ recorded Oct 1, 2026201-500386 contacts →

Exact match

“Genedata transforms biopharma data into intelligence.”

Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase
10Exact matchBoulder, United StatesHQ recorded Oct 1, 2026201-500360 contacts →

Exact match

“Enveda is a biotechnology company that is learning from life’s chemistry to create better medicines faster.”

Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase
11Exact matchNoida, IndiaHQ recorded Oct 1, 2026501-1,000353 contacts →

Exact match

“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…”

Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase
12Exact matchStrasbourg, FranceHQ recorded Oct 1, 2026201-500347 contacts →

Exact match

“Novalix is a premier drug discovery partner to biotech firms and pharmaceutical companies.”

Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase
13Exact matchLondon, MA, United KingdomHQ recorded Oct 1, 2026201-500333 contacts →

Exact match

“Isomorphic Labs is here to advance human health by building on and beyond the Nobel-winning AlphaFold system.”

Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase
14Exact matchCambridge, United KingdomHQ recorded Oct 1, 202651-200330 contacts →

Exact match

“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…”

Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase
15Exact matchThe Woodlands, TX, United StatesHQ recorded Oct 1, 202651-200311 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 · Oct 1, 2026 · View company records in RevenueBase
16Exact matchHyderabad, IndiaHQ recorded Oct 1, 2026501-1,000311 contacts →

Exact match

“LAXAI Life Sciences is a leading small molecule CRDMO providing end-to-end Integrated Drug Discovery, Development, and Manufacturing solutions to the pharmaceutical and biotech…”

Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase
17Exact matchSan Diego, CA, United StatesHQ recorded Oct 1, 2026201-500273 contacts →

Exact match

Recorded description not available.

Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase
18Exact matchMontreal, QC, CanadaHQ recorded Oct 1, 2026201-500266 contacts →

Exact match

Recorded description not available.

Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase
19Exact matchTokyo, JapanHQ recorded Oct 1, 2026201-500254 contacts →

Exact match

“Nxera Pharma is a technology powered biopharma company in pursuit of new specialty medicines to improve the lives of patients with unmet needs in Japan and globally.”

Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase
20Exact matchKraków, PolandHQ recorded Oct 1, 202651-200235 contacts →

Exact match

“Ryvu Therapeutics is a clinical-stage drug discovery and development company focused on novel small molecule therapies that address emerging targets in oncology.”

Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase
21Exact matchCambridge, MA, United StatesHQ recorded Oct 1, 2026501-1,000224 contacts →

Exact match

“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…”

Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase
22Exact matchHyderabad, IndiaHQ recorded Oct 1, 2026501-1,000196 contacts →

Exact match

“At PI Health Sciences, we provide fully integrated drug discovery solutions, combining synthetic and medicinal chemistry, biology, and AI-driven technologies.”

Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase
23Exact matchGurgaon, IndiaHQ recorded Oct 1, 202651-200195 contacts →

Exact match

“Premas is developing transformational technologies and partnering with pharmaceutical companies around the world to expedite their drug discovery programs by cutting down…”

Recorded in the RevenueBase company graph · Oct 1, 2026 · View company records in RevenueBase
24Exact matchMacclesfield, United KingdomHQ recorded Oct 1, 202651-200192 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 · Oct 1, 2026 · View company records in RevenueBase
25Exact matchLexington, MA, United StatesHQ recorded Oct 1, 202651-200191 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 · Oct 1, 2026 · View company records in RevenueBase

Showing 25 of 1,582 drug discovery software companies worldwide

See the full list, filter by size, metro and specialty, and access 15,358 tracked professional contacts with verified work emails. Direct dials are available where recorded.

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Drug discovery software companies worldwide at a glance

As of Oct 1, 2026
43.1%Verified-email coverage
22.5Average contacts per company
1-10Median size (employees)
2.5%Largest-city concentration · Cambridge
Oct 1, 2026Page data refreshed

Companies by employee count

1-10
850
11-50
508
51-200
148
201-500
35
501-1,000
21
1,001-5,000
9
5,001-10,000
2
10001+
3

Email recency is reported on each country list linked below.

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.
Coverage
Every country. Country and city lists for drug discovery software companies are linked below.
What qualifies
Company records worldwide 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. 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 15,358 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 October 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.

Drug discovery software companies by location

15 lists · largest first

Every Drug discovery software companies list RevenueBase publishes, by country and city. Counts are matching companies in each list as of its own refresh date.

Countries

Cities

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 worldwide?

RevenueBase identified 1,582 company matches for drug discovery software companies worldwide as of October 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?

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

Which country has the most drug discovery software companies?

The United States leads with 550 companies, followed by the United Kingdom (145) and India (97). Every drug discovery software companies list by country and city is linked on this page.

Which city has the most drug discovery software companies?

Cambridge leads with 40 company records, followed by Boston (39) and London (38).

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 15,358 professional contacts with verified work emails tracked across these 1,582 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 October 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.