Company lists · Data refreshed September 2026

Top 17 Molecular modeling companies based in the United Kingdom

RevenueBase identified 48 molecular modeling companies headquartered in the United Kingdom as of September 2026 and tracks 717 professional contacts across them, including 450 with verified work emails. London is the largest hub.

This list covers molecular modeling companies headquartered in the United Kingdom, 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 20, 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.

How to read this list HQ checked on every row RevenueBase Smart Search rating on every row Refreshed Sep 20, 2026 86% judged on-target in blind review
48Companies
717Contacts tracked
450Verified emails
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The 17 largest molecular modeling companies based in the United Kingdom

Ranked by team size
Top 17 of 48 molecular modeling companies based in the United Kingdom, ranked by team size, largest first. Data refreshed Sep 20, 2026. RevenueBase Smart Search rates how each company's information relates to molecular modeling companies: strong evidence (its own description names it), partial (names part of it), indirect (matched on the rest of its profile rather than the description shown). Click a contact count to view that company's people.
#CompanyRevenueBase Smart SearchHeadquartersEmployeesContacts
1Partial evidenceGlasgow, United KingdomHQ checked Sep 20, 202651-200149 contacts →

Partial evidence

“Accelerating molecular discovery through the power of Chemputation.”

Source: RevenueBase Database · checked Sep 20, 2026
2Partial evidenceCambridge, United KingdomHQ checked Sep 20, 202651-20087 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 20, 2026
3Indirect evidenceNewhouse, United KingdomHQ checked Sep 20, 202651-20084 contacts →

Indirect 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 20, 2026
4Indirect evidenceOxford, United KingdomHQ checked Sep 20, 202611-5066 contacts →

Indirect evidence

“OMass Therapeutics is a private pharmaceutical company, focused on structural mass spectrometry to discover novel medicines.”

Source: RevenueBase Database · checked Sep 20, 2026
5Partial evidenceCambridge, United KingdomHQ checked Sep 20, 202651-20053 contacts →

Partial evidence

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

Source: RevenueBase Database · checked Sep 20, 2026
6Partial evidenceLondon, United KingdomHQ checked Sep 20, 202611-5037 contacts →

Partial evidence

“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…”

Source: RevenueBase Database · checked Sep 20, 2026
7Indirect evidenceLondon, United KingdomHQ checked Sep 20, 20261-1014 contacts →

Indirect evidence

“Modern drug design software for chemists”

Source: RevenueBase Database · checked Sep 20, 2026
8Partial evidenceChapel-en-le-frith, United KingdomHQ checked Sep 20, 202651-20012 contacts →

Partial evidence

“Peakdale Molecular is now Concept Life Sciences.”

Source: RevenueBase Database · checked Sep 20, 2026
9Indirect evidenceLondon, United KingdomHQ checked Sep 20, 20261-1011 contacts →

Indirect evidence

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

Source: RevenueBase Database · checked Sep 20, 2026
10Partial evidenceBorehamwood, United KingdomHQ checked Sep 20, 202611-505 contacts →

Partial evidence

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

Source: RevenueBase Database · checked Sep 20, 2026
11Indirect evidenceWarmington, United KingdomHQ checked Sep 20, 20261-105 contacts →

Indirect evidence

“Amigo Chem was established in to develop, sell and support parallel chemistry systems.”

Source: RevenueBase Database · checked Sep 20, 2026
12Indirect evidenceSandwich, United KingdomHQ checked Sep 20, 20261-103 contacts →

Indirect evidence

“Sandexis is a partnership of highly experienced medicinal and computational chemists working at the cutting edge of modern medicinal chemistry.”

Source: RevenueBase Database · checked Sep 20, 2026
13Indirect evidenceManchester, United KingdomHQ checked Sep 20, 20261-103 contacts →

Indirect evidence

“We work hand in hand with our partners to co-develop novel synthetic solutions for complex APIs.”

Source: RevenueBase Database · checked Sep 20, 2026
14Indirect evidenceBicester, United KingdomHQ checked Sep 20, 20261-102 contacts →

Indirect evidence

“Informatics Matters Ltd.”

Source: RevenueBase Database · checked Sep 20, 2026
15Indirect evidenceRemote, United KingdomHQ checked Sep 20, 20261-102 contacts →

Indirect evidence

“OpenBioSim is a not-for-profit organisation that develops and maintains open-source scientific software solutions for the benefits of stakeholders in academia and industry.”

Source: RevenueBase Database · checked Sep 20, 2026
16Partial evidenceCambridge, United KingdomHQ checked Sep 20, 20261-102 contacts →

Partial evidence

“Cambridge Molecular is a computational chemistry software company devoted to DNA-encoded libraries and other next-generation small molecular screening technologies.”

Source: RevenueBase Database · checked Sep 20, 2026
17Indirect evidenceLeicestershire, United KingdomHQ checked Sep 20, 20261-101 contacts →

Indirect evidence

“Medsyndesign Ltd is a UK-based independent medicinal chemistry consultancy aimed at pre-clinical drug discovery projects.”

Source: RevenueBase Database · checked Sep 20, 2026

Showing 17 of 48 molecular modeling companies based in the United Kingdom

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Molecular modeling companies based in the United Kingdom at a glance

As of Sep 20, 2026
62.8%Verified-email coverage
14.9Average contacts per company
1-10Median size (employees)
18.8%Largest-city concentration · London
Sep 20, 2026Page data refreshed

Companies by employee count

1-10
30
11-50
11
51-200
7

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 48 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 molecular modeling 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 Kingdom whose own description of what they do matches “molecular modeling 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 molecular modeling 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 molecular modeling companies, and records with no verified work email. Companies headquartered outside United Kingdom 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, 450 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 20, 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 molecular modeling 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 molecular modeling companies are there based in the United Kingdom?

RevenueBase identified 48 molecular modeling companies headquartered in the United Kingdom 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?

Chemify Limited, headquartered in Glasgow, tops this list with the largest team on record.

Which city has the most molecular modeling companies?

London leads with 9 headquartered companies, followed by Cambridge (8) and Abingdon (1).

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 450 verified decision-maker contacts tracked across these 48 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 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 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.