Company lists · Data refreshed September 2026

Top 22 Computational drug discovery companies based in Boston, United States

RevenueBase identified 42 company matches for computational drug discovery companies associated with Boston, United States as of September 2026 and tracks 1,098 professional contacts across them, including 494 with verified work emails. Across the United States, Boston is the largest hub for this category.

This list covers company matches for computational drug discovery companies associated with Boston, United States, 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 September 19, 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 Sep 19, 2026 How this list was built
42Companies
1,098Contacts tracked
494Verified emails
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The 22 largest computational drug discovery companies based in Boston, United States

Ranked by team size
Top 22 of 42 company matches for computational drug discovery companies based in Boston, United States, ordered by professional contacts tracked in RevenueBase, largest first. Recorded Sep 19, 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 matchBoston, MA, United StatesHQ recorded Sep 19, 2026201-500281 contacts →

Exact match

“Insilico Medicine, a clinical stage biotech company powered by generative AI, is connecting biology, chemistry, and clinical trials analysis using next-generation AI systems.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
2Exact matchBoston, MA, United StatesHQ recorded Sep 19, 202651-200102 contacts →

Exact match

“Nimbus Therapeutics is a clinical-stage, structure-based drug discovery company developing novel small molecule medicines designed to act against well-validated but…”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
3Exact matchBoston, MA, United StatesHQ recorded Sep 19, 202651-20091 contacts →

Exact match

“Jnana Therapeutics is a clinical-stage biotechnology company leveraging its next-generation chemoproteomics RAPID platform to discover medicines for highly validated…”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
4Exact matchBoston, MA, United StatesHQ recorded Sep 19, 202611-5055 contacts →

Exact match

“Manifold Bio is a platform therapeutics company building the first AI-guided direct-to-vivo discovery platform.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
5Exact matchBoston, MA, United StatesHQ recorded Sep 19, 202611-5050 contacts →

Exact match

“Quris-AI is an artificial intelligence innovator that is disrupting drug development.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
6Exact matchBoston, MA, United StatesHQ recorded Sep 19, 202611-5044 contacts →

Exact match

“Superluminal Medicines is a Boston-based generative biology and chemistry company developing a differentiated pipeline and revolutionizing the speed and accuracy of how medicine…”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
7Exact matchBoston, MA, United StatesHQ recorded Sep 19, 202611-5039 contacts →

Exact match

“Boston-based AI Proteins is a biotech company on a mission to re-imagine protein therapeutics with a novel approach for designing entirely new proteins.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
8Exact matchBoston, MA, United StatesHQ recorded Sep 19, 202611-5028 contacts →

Exact match

“The human body is a holistic system, its biology is multi-faceted and intricately interconnected.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
9Exact matchBoston, MA, United StatesHQ recorded Sep 19, 202611-5023 contacts →

Exact match

“Vivtex originated from MIT, with a mission to enable the development of new oral drugs using sophisticated high throughput screening technologies, IP protected formulation…”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
10Exact matchBoston, MA, United StatesHQ recorded Sep 19, 202611-5022 contacts →

Exact match

“QSimulate is reshaping the Future of Computational Drug Discovery by providing revolutionary quantum-powered simulation solutions that reduce R&D timelines and increase the…”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
11Exact matchBoston, MA, United StatesHQ recorded Sep 19, 202611-5018 contacts →

Exact match

“Psivant Therapeutics is advancing a paradigm shift in biotechnology by pioneering a physics-driven approach to drug design that is tightly coupled to chemistry and biology…”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
12Exact matchBoston, MA, United StatesHQ recorded Sep 19, 202651-20017 contacts →

Exact match

“Genuity Science is a wholly-owned subsidiary of US biotechnology company, HiberCell.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
13Exact matchBoston, MA, United StatesHQ recorded Sep 19, 202611-5014 contacts →

Exact match

“Animol is a drug discovery company that leverages the powerful combination of machine learning and DNA-encoded chemical libraries to build a proprietary pipeline of highly…”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
14Exact matchBoston, MA, United StatesHQ recorded Sep 19, 20261-1011 contacts →

Exact match

“SEP provides high quality, consolidated preclinical drug discovery and development solutions for pharmaceutical, biotechnology, and cosmetic/consumer care companies.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
15Exact matchBoston, MA, United StatesHQ recorded Sep 19, 202611-5010 contacts →

Exact match

“1910 Genetics is the only biotechnology company advancing small and large molecule drug discovery with a multimodal AI platform powered by laboratory automation.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
16Exact matchBoston, United StatesHQ recorded Sep 19, 20261-1010 contacts →

Exact match

“Building biology with AI.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
17Exact matchBoston, United StatesHQ recorded Sep 19, 202611-507 contacts →

Exact match

“DVLP Medicines Drug development, reimagined as an AI-native platform.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
18Exact matchBoston, MA, United StatesHQ recorded Sep 19, 20261-104 contacts →

Exact match

“An AI software company with a venture capital arm, our mission at Vibe Bio is to find every cure for every community.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
19Exact matchBoston, MA, United StatesHQ recorded Sep 19, 20261-104 contacts →

Exact match

“Akttyva Therapeutics, Inc.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
20Exact matchBoston, United StatesHQ recorded Sep 19, 20261-103 contacts →

Exact match

“We are a drug discovery platform company”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
21Exact matchBoston, United StatesHQ recorded Sep 19, 20261-102 contacts →

Exact match

“Kumuda makes actionable insights for drug discovery and accelerates development of new treatments for patients.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase
22Exact matchBoston, MA, United StatesHQ recorded Sep 19, 20261-101 contacts →

Exact match

“Virtual Discovery is a Boston-based biotech that utilizes advanced computational methods to accelerate molecule discovery.”

Recorded in the RevenueBase company graph · Sep 19, 2026 · View company records in RevenueBase

Showing 22 of 42 computational drug discovery companies based in Boston, United States

See the full list, filter by size, metro and specialty, and access 494 tracked professional contacts with verified work emails. Direct dials are available where recorded.

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Computational drug discovery companies based in Boston, United States at a glance

As of Sep 19, 2026
45.0%Verified-email coverage
26.1Average contacts per company
11-50Median size (employees)
Sep 19, 2026Page data refreshed

Companies by employee count

1-10
17
11-50
18
51-200
5
201-500
2

Email recency for this list is measured across the whole United States list rather than for Boston, so it is reported there. Company counts and contact totals on this page are exact for Boston, over 42 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 Boston, United States whose business descriptions match “computational drug discovery 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 494 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 September 19, 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 “computational drug discovery companies”; each Exact match badge shows search membership, not an individual similarity or quality score.

How many computational drug discovery companies are there based in Boston, United States?

RevenueBase identified 42 company matches for computational drug discovery companies associated with Boston, United States as of September 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?

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

Which city in the United States has the most computational drug discovery companies?

Boston leads the United States with 42 company records, followed by San Francisco (40) and San Diego (34).

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 494 professional contacts with verified work emails tracked across these 42 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 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 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.