Company lists · Data refreshed September 2026

Top 25 Computational drug discovery companies based in Canada

RevenueBase identified 64 computational drug discovery companies headquartered in Canada as of September 2026 and tracks 1,464 professional contacts across them, including 762 with verified work emails. Montreal is the largest hub.

This list covers computational drug discovery companies headquartered in Canada, 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.

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 19, 2026 86% judged on-target in blind review
64Companies
1,464Contacts tracked
762Verified emails
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The 25 largest computational drug discovery companies based in Canada

Ranked by team size
Top 25 of 64 computational drug discovery companies based in Canada, ranked by team size, largest first. Data refreshed Sep 19, 2026. RevenueBase Smart Search rates how each company's information relates to computational drug discovery 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
1Indirect evidenceToronto, ON, CanadaHQ checked Sep 19, 2026201-500298 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, 2026
2Indirect evidenceMontreal, QC, CanadaHQ checked Sep 19, 2026201-500266 contacts →

Indirect evidence

Source: RevenueBase Database · checked Sep 19, 2026
3Indirect evidenceToronto, ON, CanadaHQ checked Sep 19, 2026201-500184 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, 2026
4Indirect evidenceToronto, CanadaHQ checked Sep 19, 202651-200105 contacts →

Indirect evidence

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

Source: RevenueBase Database · checked Sep 19, 2026
5Indirect evidenceMontreal, QC, CanadaHQ checked Sep 19, 202651-20063 contacts →

Indirect evidence

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

Source: RevenueBase Database · checked Sep 19, 2026
6Strong evidenceMississauga, ON, CanadaHQ checked Sep 19, 202651-20058 contacts →

Strong evidence

“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.”

Source: RevenueBase Database · checked Sep 19, 2026
7Strong evidenceEdmonton, AB, CanadaHQ checked Sep 19, 202651-20052 contacts →

Strong evidence

“DrugBank is your trusted companion in drug discovery and development.”

Source: RevenueBase Database · checked Sep 19, 2026
8Indirect evidenceWaterloo, ON, CanadaHQ checked Sep 19, 202611-5050 contacts →

Indirect evidence

Source: RevenueBase Database · checked Sep 19, 2026
9Partial evidenceToronto, ON, CanadaHQ checked Sep 19, 202611-5028 contacts →

Partial evidence

“ProteinQure is building the world’s leading AI platform for peptide drug design, focused on extracellular targets.”

Source: RevenueBase Database · checked Sep 19, 2026
10Strong evidenceWinnipeg, MB, CanadaHQ checked Sep 19, 202611-5028 contacts →

Strong evidence

“CanAm Bioresearch is a well-established North American based medicinal chemistry Contract Research Organization (CRO) with more than 20 years of experience in drug discovery.”

Source: RevenueBase Database · checked Sep 19, 2026
11Indirect evidenceLaval, QC, CanadaHQ checked Sep 19, 202611-5026 contacts →

Indirect evidence

“We are more than a CRO.”

Source: RevenueBase Database · checked Sep 19, 2026
12Strong evidenceEdmonton, AB, CanadaHQ checked Sep 19, 202611-5024 contacts →

Strong evidence

“Founded in 2017, 48Hour Discovery (48HD) has a powerful technology platform for peptide-based drug discovery.”

Source: RevenueBase Database · checked Sep 19, 2026
13Indirect evidenceToronto, ON, CanadaHQ checked Sep 19, 202611-5021 contacts →

Indirect evidence

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

Source: RevenueBase Database · checked Sep 19, 2026
14Partial evidenceSt John’s, NL, CanadaHQ checked Sep 19, 202611-5020 contacts →

Partial evidence

“90% of potential drugs fail, often because they lack the genetic evidence to prove they will work.”

Source: RevenueBase Database · checked Sep 19, 2026
15Partial evidenceToronto, ON, CanadaHQ checked Sep 19, 202611-5019 contacts →

Partial evidence

“NetraMark combines proprietary QML/ML algorithms with cross-domain expertise to bring ML commercialization into reality, starting with the pharmaceutical space in drug development…”

Source: RevenueBase Database · checked Sep 19, 2026
16Partial evidenceMontreal, QC, CanadaHQ checked Sep 19, 20261-1015 contacts →

Partial evidence

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

Source: RevenueBase Database · checked Sep 19, 2026
17Indirect evidenceVancouver, ON, CanadaHQ checked Sep 19, 20261-109 contacts →

Indirect evidence

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

Source: RevenueBase Database · checked Sep 19, 2026
18Strong evidenceHamilton, ON, CanadaHQ checked Sep 19, 20261-107 contacts →

Strong evidence

“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.”

Source: RevenueBase Database · checked Sep 19, 2026
19Indirect evidenceToronto, ON, CanadaHQ checked Sep 19, 202611-507 contacts →

Indirect evidence

“AI Techlife is an interdisciplinary Artificial Intelligence based biotechnology and biomedical company in Toronto, Canada.”

Source: RevenueBase Database · checked Sep 19, 2026
20Strong evidenceMontreal, QC, CanadaHQ checked Sep 19, 2026201-5006 contacts →

Strong evidence

“NuChem Sciences a CRO specialized in integrated services for drug discovery.”

Source: RevenueBase Database · checked Sep 19, 2026
21Indirect evidenceMontréal, QC, CanadaHQ checked Sep 19, 20261-106 contacts →

Indirect evidence

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

Source: RevenueBase Database · checked Sep 19, 2026
22Indirect evidenceMontreal, QC, CanadaHQ checked Sep 19, 202651-2005 contacts →

Indirect evidence

“IntelliSyn is formally X-Chem!”

Source: RevenueBase Database · checked Sep 19, 2026
23Indirect evidenceBurlington, ON, CanadaHQ checked Sep 19, 20261-105 contacts →

Indirect evidence

“Galaxy Genomics Corp.”

Source: RevenueBase Database · checked Sep 19, 2026
24Strong evidenceToronto, CanadaHQ checked Sep 19, 20261-104 contacts →

Strong evidence

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

Source: RevenueBase Database · checked Sep 19, 2026
25Strong evidenceToronto, ON, CanadaHQ checked Sep 19, 20261-103 contacts →

Strong evidence

“About us Company Mission NeuroTheryX is an R&D-driven company based in Toronto, dedicated to the discovery and commercialization of therapeutic drugs.”

Source: RevenueBase Database · checked Sep 19, 2026

Showing 25 of 64 computational drug discovery companies based in Canada

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Computational drug discovery companies based in Canada at a glance

As of Sep 19, 2026
52.0%Verified-email coverage
22.9Average contacts per company
1-10Median size (employees)
23.4%Largest-city concentration · Montreal
Sep 19, 2026Page data refreshed

Companies by employee count

1-10
37
11-50
16
51-200
7
201-500
4

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 64 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 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.
What qualifies
Companies headquartered in Canada 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. Companies headquartered outside Canada 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, 762 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.

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 based in Canada?

RevenueBase identified 64 computational drug discovery companies headquartered in Canada 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?

Benchsci, headquartered in Toronto, tops this list with the largest team on record.

Which city has the most computational drug discovery companies?

Montreal leads with 15 headquartered companies, followed by Toronto (14) and Edmonton (4).

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 762 verified decision-maker contacts tracked across these 64 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.