Company lists · Data refreshed October 2026

Top 20 AI medication chemistry simulation software companies based in Canada

RevenueBase identified 43 company matches for AI medication chemistry simulation software companies associated with Canada as of October 2026 and tracks 1,247 professional contacts across them, including 666 with verified work emails. Toronto is the largest hub.

This list covers company matches for AI medication chemistry simulation software companies associated with Canada, 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
43Companies
1,247Contacts tracked
666Verified emails
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The 20 largest AI medication chemistry simulation software companies based in Canada

Ranked by team size
Top 20 of 43 company matches for AI medication chemistry simulation software companies based in Canada, 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 matchToronto, ON, CanadaHQ recorded Oct 20, 2026201-500273 contacts →

Exact match

“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…”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
2Exact matchMontreal, QC, CanadaHQ recorded Oct 20, 2026201-500252 contacts →

Exact match

Recorded description not available.

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
3Exact matchToronto, ON, CanadaHQ recorded Oct 20, 2026201-500184 contacts →

Exact match

“Advanced Chemistry Development, Inc,(ACD/Labs) develops and commercialzes informatics solutions for chemical, biochemical, and pharmaceutical R&D.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
4Exact matchToronto, CanadaHQ recorded Oct 20, 202651-200107 contacts →

Exact match

“Deep Genomics collaborates across disciplines to solve hard molecular design and target biology problems historically requiring slow, empirical iteration.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
5Exact matchMontreal, QC, CanadaHQ recorded Oct 20, 202651-20062 contacts →

Exact match

“CCG (Chemical Computing Group) is a leading supplier of software solutions for life sciences.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
6Exact matchMississauga, ON, CanadaHQ recorded Oct 20, 202651-20055 contacts →

Exact match

“Dalriada is a small molecule drug discovery company supporting global innovators through its TURN-KEY™ model, where R&D is perfectly aligned with business and IP.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
7Exact matchWaterloo, ON, CanadaHQ recorded Oct 20, 202611-5052 contacts →

Exact match

Recorded description not available.

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
8Exact matchToronto, CanadaHQ recorded Oct 20, 202651-20028 contacts →

Exact match

“Founded in 2018, Chemical.AI leads the innovation in chemical synthesis through AI and automation.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
9Exact matchVancouver, BC, CanadaHQ recorded Oct 20, 202611-5025 contacts →

Exact match

“Gandeeva Therapeutics is a biotechnology company and contract research organization with operations in Vancouver, BC, integrating cryogenic electron microscopy and machine…”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
10Exact matchToronto, ON, CanadaHQ recorded Oct 20, 202611-5021 contacts →

Exact match

“Our mission is to fast-track therapeutics development with improved properties and performance.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
11Exact matchVancouver, BC, CanadaHQ recorded Oct 20, 20261-1020 contacts →

Exact match

“HTuO Biosciences is a deep tech company, working at the interface of chemistry, physics and computer programming, to develop an advanced molecular simulation capable of accurately…”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
12Exact matchMontreal, QC, CanadaHQ recorded Oct 20, 20261-1020 contacts →

Exact match

“We are a reliable, self-sustaining computational chemistry company.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
13Exact matchToronto, CanadaHQ recorded Oct 20, 202611-5019 contacts →

Exact match

“Structura Biotechnology is unlocking the potential of cryo-EM as a high-throughput structure determination technique for life sciences and drug discovery.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
14Exact matchMontreal, QC, CanadaHQ recorded Oct 20, 202611-5018 contacts →

Exact match

“Nanoacademic Technologies develops and commercialize licenses of advanced atomistic simulation tools to predict the properties of next generation materials and electronic devices.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
15Exact matchVancouver, ON, CanadaHQ recorded Oct 20, 20261-108 contacts →

Exact match

“Kapoose Creek Bio is a Canadian biotech company using AI technologies to uncover small molecule medicines from nature with unprecedented speed and scale.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
16Exact matchHamilton, ON, CanadaHQ recorded Oct 20, 20261-107 contacts →

Exact match

“Stoked Bio leverages high-throughput biology and a diverse suite of state-of-the-art AI approaches to discover and design novel drugs to address urgent unmet clinical needs.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
17Exact matchMontreal, QC, CanadaHQ recorded Oct 20, 20261-105 contacts →

Exact match

“At Chemia, we enable R&D teams in clean-tech and high-tech find the best materials in minutes, not months.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
18Exact matchVancouver, BC, CanadaHQ recorded Oct 20, 20261-105 contacts →

Exact match

“AI-designed peptides and small molecules, lab-validated, partner-deployed.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
19Exact matchToronto, CanadaHQ recorded Oct 20, 20261-104 contacts →

Exact match

“Biossil is an applied AI drug discovery platform founded to develop targeted therapies for biologically defined patient sub-populations.”

Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase
20Exact matchMontréal, QC, CanadaHQ recorded Oct 20, 20261-103 contacts →

Exact match

“We address the inefficiency of clinical trial success that is currently at >90% failure rate.”

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

Showing 20 of 43 AI medication chemistry simulation software companies based in Canada

See the full list, filter by size, metro and specialty, and access 666 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 Canada at a glance

As of Oct 20, 2026
53.4%Verified-email coverage
29.0Average contacts per company
1-10Median size (employees)
30.2%Largest-city concentration · Toronto
Oct 20, 2026Page data refreshed

Companies by employee count

1-10
25
11-50
10
51-200
5
201-500
3

Email recency for this list is measured worldwide rather than for Canada, so it is reported there. Company counts and contact totals on this page are exact for Canada, over 43 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 Canada 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 666 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.

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 Canada?

RevenueBase identified 43 company matches for AI medication chemistry simulation software companies associated with Canada 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?

Benchsci 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?

Toronto leads with 13 company records, followed by Montreal (12) and Vancouver (7).

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 666 professional contacts with verified work emails tracked across these 43 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.