Company lists · Data refreshed October 2026

Top 25 AI medication chemistry simulation software companies based in the United Kingdom

RevenueBase identified 82 company matches for AI medication chemistry simulation software companies associated with the United Kingdom as of October 2026 and tracks 1,173 professional contacts across them, including 546 with verified work emails. London is the largest hub.

This list covers company matches for AI medication chemistry simulation software companies associated with the United Kingdom, 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 20, 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 Oct 20, 2026 How this list was built
82Companies
1,173Contacts tracked
546Verified emails
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The 25 largest AI medication chemistry simulation software companies based in the United Kingdom

Ranked by team size
Top 25 of 82 company matches for AI medication chemistry simulation software companies based in the United Kingdom, ordered by professional contacts tracked in RevenueBase, largest first. Recorded Oct 20, 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 matchGlasgow, United KingdomHQ recorded Oct 20, 202651-200176 contacts →

Exact match

“Accelerating molecular discovery through the power of Chemputation.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
2Exact matchLondon, United KingdomHQ recorded Oct 20, 202651-200127 contacts →

Exact match

“Our mission at Causaly is to redefine the boundaries of human discovery by harnessing transformative AI technologies.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
3Exact matchCambridge, United KingdomHQ recorded Oct 20, 202651-20085 contacts →

Exact match

“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…”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
4Exact matchLondon, United KingdomHQ recorded Oct 20, 202651-20069 contacts →

Exact match

“Airfinity provides AI-powered intelligence, simulations and forecasting solutions to help life sciences organisations navigate uncertainty.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
5Exact matchLondon, United KingdomHQ recorded Oct 20, 202651-20068 contacts →

Exact match

“LabGenius Therapeutics ("LabGenius") is a drug discovery company pioneering the discovery of next-generation therapeutic antibodies.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
6Exact matchOxford, United KingdomHQ recorded Oct 20, 2026501-1,00067 contacts →

Exact match

“Exscientia is now Recursion.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
7Exact matchCambridge, United KingdomHQ recorded Oct 20, 202651-20061 contacts →

Exact match

“Healx is a mission-driven technology company pioneering the next generation of drug discovery in order to bring novel, effective treatments to rare disease patients around the…”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
8Exact matchCambridge, United KingdomHQ recorded Oct 20, 202651-20053 contacts →

Exact match

“Optibrium provides elegant software solutions for small molecule design, optimisation and data analysis.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
9Exact matchLondon, United KingdomHQ recorded Oct 20, 202611-5038 contacts →

Exact match

“Peptone is a therapeutics company that uses AI and an experimental physics product engine to design small molecules targeting the 6,200 intrinsically disordered human proteins…”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
10Exact matchLondon, United KingdomHQ recorded Oct 20, 202611-5025 contacts →

Exact match

“PolyModels Hub is a biotech software company building the digital backbone for biopharma process development.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
11Exact matchLondon | Cambridge, United KingdomHQ recorded Oct 20, 202611-5024 contacts →

Exact match

“Synteny's novel biological data foundry and frontier AI solve molecular recognition, a "holy-grail" challenge in biology.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
12Exact matchCambridge, United KingdomHQ recorded Oct 20, 20261-1023 contacts →

Exact match

“More than half of all clinical trials fail due to safety issues.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
13Exact matchLondon, United KingdomHQ recorded Oct 20, 202611-5017 contacts →

Exact match

“CoSyne Therapeutics is a vertically integrated AI Drug Discovery company aiming to bring speed to precision medicine through polymathic AI to help patients with under-served…”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
14Exact matchLeeds, United KingdomHQ recorded Oct 20, 202611-5017 contacts →

Exact match

“ChemAI is an AI-for-chemistry company reinventing how pharmaceutical molecules are made.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
15Exact matchLondon, United KingdomHQ recorded Oct 20, 20261-1015 contacts →

Exact match

“Modern drug design software for chemists”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
16Exact matchCambridge, United KingdomHQ recorded Oct 20, 202611-5015 contacts →

Exact match

“PharmEnable is a biopharmaceutical company utilizing AI to discover effective small-molecule medicines for disease targets that are inaccessible to antibodies.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
17Exact matchLondon, United KingdomHQ recorded Oct 20, 202611-5015 contacts →

Exact match

“For pharmaceutical and agrochemical companies who need to speed-up process development for organic synthesis.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
18Exact matchLondon, United KingdomHQ recorded Oct 20, 20261-109 contacts →

Exact match

“Kuano is applying advanced computational methods to solve the hardest problems in therapeutic design, accelerating the path to life-changing medicines.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
19Exact matchLondon, United KingdomHQ recorded Oct 20, 20261-109 contacts →

Exact match

“Oppilotech have developed a high-resolution platform based on systems biology and machine learning to model biological processes in cells.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
20Exact matchLondon, United KingdomHQ recorded Oct 20, 20261-109 contacts →

Exact match

“Rayca Precision is an AI-native operating system for drug development, built to break the silos that pharma R&D runs on, where the data already scattered across a pipeline is…”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
21Exact matchOxford, United KingdomHQ recorded Oct 20, 20261-109 contacts →

Exact match

“Oxford Drug Design, an advanced spinout from Oxford University, is an innovative biotechnology company discovering and developing novel therapeutics supported by pioneering…”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
22Exact matchLondon, United KingdomHQ recorded Oct 20, 20261-108 contacts →

Exact match

“Inovia Bio is on a mission to revolutionise drug development.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
23Exact matchLondon, United KingdomHQ recorded Oct 20, 202611-508 contacts →

Exact match

“Accessible AI for all drug discovery researchers.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
24Exact matchLondon, United KingdomHQ recorded Oct 20, 20261-105 contacts →

Exact match

“Evariste is an AI-enabled drug discovery company developing small molecule inhibitors of next generation synthetic lethality targets.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
25Exact matchBorehamwood, United KingdomHQ recorded Oct 20, 202611-505 contacts →

Exact match

“Molecular Discovery was established in 1984 to provide the GRID software to scientists working on the field of Drug Design.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase

Showing 25 of 82 AI medication chemistry simulation software companies based in the United Kingdom

See the full list, filter by size, metro and specialty, and access 546 tracked professional contacts with verified work emails. Direct dials are available where recorded.

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AI medication chemistry simulation software companies based in the United Kingdom at a glance

As of Oct 20, 2026
46.5%Verified-email coverage
14.3Average contacts per company
1-10Median size (employees)
41.5%Largest-city concentration · London
Oct 20, 2026Page data refreshed

Companies by employee count

1-10
48
11-50
23
51-200
9
501-1,000
1

Email recency for this list is measured worldwide rather than for United Kingdom, so it is reported there. Company counts and contact totals on this page are exact for United Kingdom, over 82 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 Kingdom whose business descriptions match “AI medication chemistry simulation 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 546 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 20, 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.

AI medication chemistry simulation software companies by metro

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 “AI medication chemistry simulation software companies”; each Exact match badge shows search membership, not an individual similarity or quality score.

How many AI medication chemistry simulation software companies are there based in the United Kingdom?

RevenueBase identified 82 company matches for AI medication chemistry simulation software companies associated with the United Kingdom 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?

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

Which city has the most AI medication chemistry simulation software companies?

London leads with 34 company records, followed by Cambridge (15) and Oxford (6).

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 546 professional contacts with verified work emails tracked across these 82 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 20, 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.