Company lists · Data refreshed September 2026
Top 25 Drug design software companies based in the United States
RevenueBase identified 245 company matches for drug design software companies associated with the United States as of September 2026 and tracks 7,359 professional contacts across them, including 3,083 with verified work emails and 2,211 with mobile numbers. San Diego is the largest hub.
This list covers company matches for drug design software companies associated with the 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 1, 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.
The 25 largest drug design software companies based in the United States
Ranked by team size| # | Company | Contacts | |||
|---|---|---|---|---|---|
| 1 | 1,903 contacts → | ||||
Exact match “ArisGlobal is transforming the way today’s most successful life sciences companies develop breakthroughs and bring new products to market.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 2 | 1,244 contacts → | ||||
Exact match “Certara accelerates medicines using proprietary biosimulation software, technology and services to transform traditional drug discovery and development.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 3 | 200 contacts → | ||||
Exact match “Chemaxon is a leading cheminformatics company, setting the industry standard for quality and accuracy.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 4 | 183 contacts → | ||||
Exact match “Simulations Plus is a leading provider of modeling and simulation software and consulting services supporting drug discovery, development research, and regulatory submissions.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 5 | 148 contacts → | ||||
Exact match “D.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 6 | 122 contacts → | ||||
Exact match “OpenEye, Cadence Molecular Sciences is an industry leader in computational molecular design based on decades of delivering rapid, robust, and scalable software, toolkits, and…” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 7 | 105 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 1, 2026 · View company records in RevenueBase | |||||
| 8 | 93 contacts → | ||||
Exact match “Metrum Research Group, established in 2004, is a global leader in biomedical modeling and simulation.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 9 | 92 contacts → | ||||
Exact match “Collaborative Drug Discovery's CDD VAULT is a hosted biological and chemical database that securely manages your private and external data.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 10 | 90 contacts → | ||||
Exact match “Frontier Medicines, located in South San Francisco, CA and Boston, MA, is a precision medicine company that has pioneered a powerful discovery and development platform designed to…” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 11 | 76 contacts → | ||||
Exact match “We are a leader in artificial intelligence and robotic solutions applied to research in medicinal chemistry and new drug design.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 12 | 75 contacts → | ||||
Exact match “Circle Pharma initiated operations in June 2014 with seed funding from Pfizer, Inc.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 13 | 70 contacts → | ||||
Exact match “Mestrelab Research (Mestrelab) is a leading software development company specializing in innovative solutions for analytical chemistry.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 14 | 67 contacts → | ||||
Exact match “eMolecules is a leading chemical search-and-fulfillment platform that aims to reduce timelines in early drug discovery.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 15 | 48 contacts → | ||||
Exact match “TandemAI is an advanced technology company dedicated to reinventing drug discovery infrastructure.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 16 | 47 contacts → | ||||
Exact match “Primrose Bio offers radically new products and tools that unlock unexplored possibilities for the discovery, development, and manufacturing of new molecules.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 17 | 47 contacts → | ||||
Exact match “Vilya is a cutting-edge computational biotechnology company, co-founded a team of scientists from from the Institute of Protein Design (IPD) led by David Baker, Ph.D.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 18 | 46 contacts → | ||||
Exact match “Belharra Therapeutics, Inc.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 19 | 43 contacts → | ||||
Exact match “VantAI pairs bleeding-edge machine learning techniques with deep systems biology expertise to build computational models that uncover hidden relationships between molecules…” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 20 | 42 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 1, 2026 · View company records in RevenueBase | |||||
| 21 | 42 contacts → | ||||
Exact match Recorded description not available. Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 22 | 41 contacts → | ||||
Exact match “Scilligence is a leading innovator of cross-platform, mobile cheminformatics and bioinformatics software solutions.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 23 | 33 contacts → | ||||
Exact match “We build secure, compliant, and scalable software solutions for biotech teams - from data infrastructure and LIMS to ML-powered molecule discovery tools.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 24 | 31 contacts → | ||||
Exact match “Atomwise is a preclinical pharma company revolutionizing how drugs are discovered with AI.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
| 25 | 28 contacts → | ||||
Exact match “Nanome is the ultimate interface for scientific discovery, starting with molecular data.” Recorded in the RevenueBase company graph · Sep 1, 2026 · View company records in RevenueBase | |||||
RevenueBase SmartSearch
Describe a niche business in your own words. RevenueBase SmartSearch compares the meaning of your description with company business descriptions compiled in the RevenueBase company graph. Exact, Similar, Related and Broad control how closely companies must fit.
This list uses Exact for “drug design software companies”. Each Exact match badge shows membership in that saved search; it is not an individual similarity score or a service-quality rating. Recorded descriptions are shown where available.
Showing 25 of 245 drug design software companies based in the United States
See the full list, filter by size, metro and specialty, and access 3,083 tracked professional contacts with verified work emails. Direct dials are available where recorded.
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Drug design software companies based in the United States at a glance
As of Sep 1, 2026Companies by employee count
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 States whose business descriptions match “drug design 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 3,083 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 1, 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 “drug design software companies”; each Exact match badge shows search membership, not an individual similarity or quality score.
How many drug design software companies are there based in the United States?
RevenueBase identified 245 company matches for drug design software companies associated with the 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?
Arisglobal tops the displayed preview by professional contacts tracked in RevenueBase. Recorded headquarters appear in the company rows.
Which city has the most drug design software companies?
San Diego leads with 21 company records, followed by Boston (19) and San Francisco (19).
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 3,083 professional contacts with verified work emails tracked across these 245 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 1, 2026.
Ready to reach these companies? Verified emails and direct dials for all 245 drug design software companies based in the United States. Start with a free account, no credit card.
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Drug design software companies by geography
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.
More company lists
- All company lists
- Lists by location
- Lists A-Z
- New lists
- Drug design software companies based in the United Kingdom
- Drug design software companies based in Germany
- Drug design software companies based in Canada
- Drug design software companies based in France
- Drug design software companies based in India
- AI companies based in the United States
Company intelligence · public preview
Top 25 drug design software companies based in the United States
Find companies in any niche.
Describe the businesses you want in your own words. RevenueBase SmartSearch matches company descriptions by meaning.
RevenueBase records 245 matching company records for drug design software companies based in the United States, with 7,359 tracked contacts and 3,083 verified work emails.
This public preview shows 25 selected records ordered by tracked contacts. RevenueBase SmartSearch finds company descriptions that match by meaning at Exact. Snapshot: September 1, 2026.
RevenueBase compiles business descriptions for niche-company discovery; each row shows a recorded excerpt where available. Adapt this search to find the companies and contacts you want.
Top 25 drug design software companies based in the United States
The public list shows selected company records with contact and verified-email coverage. Reported employee bands provide separate company-size context.
| # | Company | Headquarters on record | Reported employees | RevenueBase SmartSearch | Tracked contacts |
|---|---|---|---|---|---|
| 1 |  Arisglobalarisglobal.comHQ: HQ not recorded; location: Waltham, MA, United StatesReported employees: 1,001-5,000 | HQ not recorded; location: Waltham, MA, United States | 1,001-5,000 | Exact match | 1,903 contacts → |
“ArisGlobal is transforming the way today’s most successful life sciences companies develop breakthroughs and bring new products to market.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 2 |  Certaracertara.comHQ: HQ not recorded; location: Blue Bell, PA, United StatesReported employees: 1,001-5,000 | HQ not recorded; location: Blue Bell, PA, United States | 1,001-5,000 | Exact match | 1,244 contacts → |
“Certara accelerates medicines using proprietary biosimulation software, technology and services to transform traditional drug discovery and development.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 3 |  Chemaxonchemaxon.comHQ: HQ not recorded; location: San Diego, CA, United StatesReported employees: 201-500 | HQ not recorded; location: San Diego, CA, United States | 201-500 | Exact match | 200 contacts → |
“Chemaxon is a leading cheminformatics company, setting the industry standard for quality and accuracy.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 4 |  Simulations Plus, INCsimulations-plus.comHQ: HQ not recorded; location: Durham, NC, United StatesReported employees: 201-500 | HQ not recorded; location: Durham, NC, United States | 201-500 | Exact match | 183 contacts → |
“Simulations Plus is a leading provider of modeling and simulation software and consulting services supporting drug discovery, development research, and regulatory submissions.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 5 |  D. E. Shaw Researchdeshawresearch.comHQ: HQ not recorded; location: New York, NY, United StatesReported employees: 51-200 | HQ not recorded; location: New York, NY, United States | 51-200 | Exact match | 148 contacts → |
“D.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 6 |  Openeye, Cadence Molecular Scienceseyesopen.comHQ: HQ not recorded; location: Boston, MA, United StatesReported employees: 51-200 | HQ not recorded; location: Boston, MA, United States | 51-200 | Exact match | 122 contacts → |
“OpenEye, Cadence Molecular Sciences is an industry leader in computational molecular design based on decades of delivering rapid, robust, and scalable software, toolkits, and…” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 7 |  Nimbus Therapeuticsnimbustx.comHQ: HQ not recorded; location: Boston, MA, United StatesReported employees: 51-200 | HQ not recorded; location: Boston, MA, United States | 51-200 | Exact match | 105 contacts → |
“Nimbus Therapeutics is a clinical-stage, structure-based drug discovery company developing novel small molecule medicines designed to act against well-validated but…” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 8 |  Metrum Research Groupmetrumrg.comHQ: HQ not recorded; location: Boston, MA, United StatesReported employees: 51-200 | HQ not recorded; location: Boston, MA, United States | 51-200 | Exact match | 93 contacts → |
“Metrum Research Group, established in 2004, is a global leader in biomedical modeling and simulation.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 9 |  Collaborative Drug Discovery - CDD Vaultcollaborativedrug.comHQ: HQ not recorded; location: Burlingame, CA, United StatesReported employees: 51-200 | HQ not recorded; location: Burlingame, CA, United States | 51-200 | Exact match | 92 contacts → |
“Collaborative Drug Discovery's CDD VAULT is a hosted biological and chemical database that securely manages your private and external data.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 10 |  Frontier Medicinesfrontiermeds.comHQ: HQ not recorded; location: South San Francisco, CA, United StatesReported employees: 51-200 | HQ not recorded; location: South San Francisco, CA, United States | 51-200 | Exact match | 90 contacts → |
“Frontier Medicines, located in South San Francisco, CA and Boston, MA, is a precision medicine company that has pioneered a powerful discovery and development platform designed to…” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 11 |  IKTOSiktos.aiHQ: HQ not recorded; location: NJ, United StatesReported employees: 51-200 | HQ not recorded; location: NJ, United States | 51-200 | Exact match | 76 contacts → |
“We are a leader in artificial intelligence and robotic solutions applied to research in medicinal chemistry and new drug design.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 12 |  Circle Pharma, INCcirclepharma.comHQ: HQ not recorded; location: South San Francisco, CA, United StatesReported employees: 11-50 | HQ not recorded; location: South San Francisco, CA, United States | 11-50 | Exact match | 75 contacts → |
“Circle Pharma initiated operations in June 2014 with seed funding from Pfizer, Inc.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 13 |  Mestrelab Research S.Lmestrelab.comHQ: HQ not recorded; location: Escondido, CA, United StatesReported employees: 51-200 | HQ not recorded; location: Escondido, CA, United States | 51-200 | Exact match | 70 contacts → |
“Mestrelab Research (Mestrelab) is a leading software development company specializing in innovative solutions for analytical chemistry.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 14 |  Emoleculesemolecules.comHQ: HQ not recorded; location: San Diego, CA, United StatesReported employees: 51-200 | HQ not recorded; location: San Diego, CA, United States | 51-200 | Exact match | 67 contacts → |
“eMolecules is a leading chemical search-and-fulfillment platform that aims to reduce timelines in early drug discovery.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 15 |  Tandemaitandemai.comHQ: HQ not recorded; location: New York, NY, United StatesReported employees: 51-200 | HQ not recorded; location: New York, NY, United States | 51-200 | Exact match | 48 contacts → |
“TandemAI is an advanced technology company dedicated to reinventing drug discovery infrastructure.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 16 |  Primrose BIOprimrosebio.comHQ: HQ not recorded; location: San Diego, CA, United StatesReported employees: 51-200 | HQ not recorded; location: San Diego, CA, United States | 51-200 | Exact match | 47 contacts → |
“Primrose Bio offers radically new products and tools that unlock unexplored possibilities for the discovery, development, and manufacturing of new molecules.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 17 |  VILYAvilyatx.comHQ: HQ not recorded; location: South San Francisco, CA, United StatesReported employees: 11-50 | HQ not recorded; location: South San Francisco, CA, United States | 11-50 | Exact match | 47 contacts → |
“Vilya is a cutting-edge computational biotechnology company, co-founded a team of scientists from from the Institute of Protein Design (IPD) led by David Baker, Ph.D.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 18 |  Belharra Therapeuticsbelharratx.comHQ: HQ not recorded; location: San Diego, CA, United StatesReported employees: 51-200 | HQ not recorded; location: San Diego, CA, United States | 51-200 | Exact match | 46 contacts → |
“Belharra Therapeutics, Inc.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 19 | Vantaivant.ai HQ: HQ not recorded; location: New York, NY, United StatesReported employees: 11-50 | HQ not recorded; location: New York, NY, United States | 11-50 | Exact match | 43 contacts → |
“VantAI pairs bleeding-edge machine learning techniques with deep systems biology expertise to build computational models that uncover hidden relationships between molecules…” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 20 |  Superluminal Medicines INCsuperluminalrx.comHQ: HQ not recorded; location: Boston, MA, United StatesReported employees: 11-50 | HQ not recorded; location: Boston, MA, United States | 11-50 | Exact match | 42 contacts → |
“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 description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 21 |  Essential Software INCessential-soft.comHQ: HQ not recorded; location: Gaithersburg, MD, United StatesReported employees: 51-200 | HQ not recorded; location: Gaithersburg, MD, United States | 51-200 | Exact match | 42 contacts → |
No recorded description excerpt is available for this public record. | |||||
| 22 |  Scilligencescilligence.comHQ: HQ not recorded; location: United StatesReported employees: 51-200 | HQ not recorded; location: United States | 51-200 | Exact match | 41 contacts → |
“Scilligence is a leading innovator of cross-platform, mobile cheminformatics and bioinformatics software solutions.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 23 |  blackthorn.aiblackthorn.aiHQ: HQ not recorded; location: San Diego, CA, United StatesReported employees: 11-50 | HQ not recorded; location: San Diego, CA, United States | 11-50 | Exact match | 33 contacts → |
“We build secure, compliant, and scalable software solutions for biotech teams - from data infrastructure and LIMS to ML-powered molecule discovery tools.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 24 |  Atomwiseatomwise.comHQ: HQ not recorded; location: San Francisco, CA, United StatesReported employees: 11-50 | HQ not recorded; location: San Francisco, CA, United States | 11-50 | Exact match | 31 contacts → |
“Atomwise is a preclinical pharma company revolutionizing how drugs are discovered with AI.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 25 |  Nanomenanome.aiHQ: HQ not recorded; location: San Diego, CA, United StatesReported employees: 11-50 | HQ not recorded; location: San Diego, CA, United States | 11-50 | Exact match | 28 contacts → |
“Nanome is the ultimate interface for scientific discovery, starting with molecular data.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
Showing 25 of 245 company matches
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Drug design software companies: dataset insights
September 1, 2026These summaries describe recorded coverage in this saved dataset. Coverage describes records in RevenueBase, rather than a census of every business in this market.
Reported company sizes
245 records in the displayed employee bands.
0 matching records are outside the displayed bands or do not have a displayed size. Bars show shares of the displayed bands.
How this company list was built
Describe a niche in your own words: companies installing commercial solar, or manufacturers of sustainable packaging. RevenueBase SmartSearch finds companies whose compiled business descriptions match by meaning. This list is one saved example to adapt.
Where the company descriptions come from
RevenueBase compiles company information from public sources, including company websites and public professional profiles such as LinkedIn, alongside information supplied by companies. The short recorded excerpt shown here is separate from the complete business description used for matching; individual source URLs and collection dates are not provided in this public snapshot.
RevenueBase SmartSearch matching settings
- Exact
- Closest fits to the business described.
- Similar
- Similar businesses with a wider range of fits.
- Related
- Related businesses in and around the category.
- Broad
- A broader set of businesses connected to the description.
RevenueBase SmartSearch · Exact match identifies inclusion in this search's closest semantic matching setting. It is not a per-company confidence score, a literal keyword match, or a quality endorsement.
Selection, ordering and scope
The public list shows selected company records with contact and verified-email coverage. Reported employee bands provide separate company-size context.
Coverage describes records in RevenueBase, rather than a census of every business in this market.
Recorded company descriptions support research; check company websites for current services. The selected preview is ordered by tracked contacts and is not a list of the best service providers.
Snapshot: September 1, 2026.
RevenueBase is a B2B data infrastructure company. Its September 3, 2026 published methodology describes a graph of 60 million companies and 398.9 million professional contacts; these platform figures differ from this page's totals. Published methodology ↗
Questions about this company list
What does Exact match mean for drug design software companies?
The separate RevenueBase SmartSearch column identifies inclusion at the closest semantic matching preset. It is not a literal keyword match, a per-company confidence score or a quality endorsement. Changing the search form opens a new search in RevenueBase; it does not reclassify these saved rows.
How many drug design software companies did RevenueBase find based in the United States?
The saved snapshot records 245 matching company records, 7,359 tracked contacts and 3,083 verified emails. The public preview displays 25 selected records.
Where do the company descriptions come from?
RevenueBase compiles company information from public sources, including company websites and public professional profiles such as LinkedIn, alongside information supplied by companies. The short recorded excerpt shown here is separate from the complete business description used for matching; individual source URLs and collection dates are not provided in this public snapshot.
How are the public companies ordered?
The selected public records are ordered by contacts tracked in RevenueBase, highest first. Contact coverage is a prospecting measure, not an assessment of the company's services or quality.
How can I get contact information?
Select a company's contact count to open its filtered contacts in RevenueBase. Free signup is required and includes 500 credits and limited free results. Verified emails, direct dials and mobile numbers depend on available coverage.
How current is this list?
Snapshot: September 1, 2026. Review each company's website for current services and locations. A recorded business description does not establish that every company offers every service named in the search.
What do headquarters and employee bands mean?
These are recorded company-level fields, rather than a map of every branch or a count of specialists. Missing headquarters or employee bands are labeled; older records may show a location separately from recorded headquarters.
Build your next target company list
Adapt this niche search and work with available contacts in RevenueBase.
Related lists
Drug design software companies by geography
Cite this list
RevenueBase Data Team. Top 25 drug design software companies based in the United States. Snapshot: September 1, 2026. https://revenuebase.ai/companies/drug-design-software-companies/united-states.
This is a selected public preview of saved company records, rather than an independently verified census. Open the source page ↗
More company lists
- All company lists
- Lists by location
- Lists A-Z
- New lists
- Drug design software companies based in the United Kingdom
- Drug design software companies based in Germany
- Drug design software companies based in Canada
- Drug design software companies based in France
- Drug design software companies based in India
- AI companies based in the United States
Company intelligence · public preview
Top 25 drug design software companies based in the United States
RevenueBase records 245 matching company records for drug design software companies based in the United States, with 7,359 tracked contacts and 3,083 verified work emails.
This public preview shows 25 selected records ordered by tracked contacts. RevenueBase SmartSearch finds company descriptions that match by meaning at Exact. Snapshot: September 1, 2026.
RevenueBase compiles business descriptions for niche-company discovery; each row shows a recorded excerpt where available. Adapt this search to find the companies and contacts you want.
Top 25 drug design software companies based in the United States
The public list shows selected company records with contact and verified-email coverage. Reported employee bands provide separate company-size context.
| # | Company | Headquarters on record | Reported employees | RevenueBase SmartSearch | Tracked contacts |
|---|---|---|---|---|---|
| 1 | Arisglobalarisglobal.com HQ: HQ not recorded; location: Waltham, MA, United StatesReported employees: 1,001-5,000 | HQ not recorded; location: Waltham, MA, United States | 1,001-5,000 | Exact match | 1,903 contacts → |
“ArisGlobal is transforming the way today’s most successful life sciences companies develop breakthroughs and bring new products to market.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 2 | Certaracertara.com HQ: HQ not recorded; location: Blue Bell, PA, United StatesReported employees: 1,001-5,000 | HQ not recorded; location: Blue Bell, PA, United States | 1,001-5,000 | Exact match | 1,244 contacts → |
“Certara accelerates medicines using proprietary biosimulation software, technology and services to transform traditional drug discovery and development.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 3 | Chemaxonchemaxon.com HQ: HQ not recorded; location: San Diego, CA, United StatesReported employees: 201-500 | HQ not recorded; location: San Diego, CA, United States | 201-500 | Exact match | 200 contacts → |
“Chemaxon is a leading cheminformatics company, setting the industry standard for quality and accuracy.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 4 | Simulations Plus, INCsimulations-plus.com HQ: HQ not recorded; location: Durham, NC, United StatesReported employees: 201-500 | HQ not recorded; location: Durham, NC, United States | 201-500 | Exact match | 183 contacts → |
“Simulations Plus is a leading provider of modeling and simulation software and consulting services supporting drug discovery, development research, and regulatory submissions.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 5 | D. E. Shaw Researchdeshawresearch.com HQ: HQ not recorded; location: New York, NY, United StatesReported employees: 51-200 | HQ not recorded; location: New York, NY, United States | 51-200 | Exact match | 148 contacts → |
“D.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 6 | Openeye, Cadence Molecular Scienceseyesopen.com HQ: HQ not recorded; location: Boston, MA, United StatesReported employees: 51-200 | HQ not recorded; location: Boston, MA, United States | 51-200 | Exact match | 122 contacts → |
“OpenEye, Cadence Molecular Sciences is an industry leader in computational molecular design based on decades of delivering rapid, robust, and scalable software, toolkits, and…” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 7 | Nimbus Therapeuticsnimbustx.com HQ: HQ not recorded; location: Boston, MA, United StatesReported employees: 51-200 | HQ not recorded; location: Boston, MA, United States | 51-200 | Exact match | 105 contacts → |
“Nimbus Therapeutics is a clinical-stage, structure-based drug discovery company developing novel small molecule medicines designed to act against well-validated but…” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 8 | Metrum Research Groupmetrumrg.com HQ: HQ not recorded; location: Boston, MA, United StatesReported employees: 51-200 | HQ not recorded; location: Boston, MA, United States | 51-200 | Exact match | 93 contacts → |
“Metrum Research Group, established in 2004, is a global leader in biomedical modeling and simulation.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 9 | Collaborative Drug Discovery - CDD Vaultcollaborativedrug.com HQ: HQ not recorded; location: Burlingame, CA, United StatesReported employees: 51-200 | HQ not recorded; location: Burlingame, CA, United States | 51-200 | Exact match | 92 contacts → |
“Collaborative Drug Discovery's CDD VAULT is a hosted biological and chemical database that securely manages your private and external data.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 10 | Frontier Medicinesfrontiermeds.com HQ: HQ not recorded; location: South San Francisco, CA, United StatesReported employees: 51-200 | HQ not recorded; location: South San Francisco, CA, United States | 51-200 | Exact match | 90 contacts → |
“Frontier Medicines, located in South San Francisco, CA and Boston, MA, is a precision medicine company that has pioneered a powerful discovery and development platform designed to…” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 11 | IKTOSiktos.ai HQ: HQ not recorded; location: NJ, United StatesReported employees: 51-200 | HQ not recorded; location: NJ, United States | 51-200 | Exact match | 76 contacts → |
“We are a leader in artificial intelligence and robotic solutions applied to research in medicinal chemistry and new drug design.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 12 | Circle Pharma, INCcirclepharma.com HQ: HQ not recorded; location: South San Francisco, CA, United StatesReported employees: 11-50 | HQ not recorded; location: South San Francisco, CA, United States | 11-50 | Exact match | 75 contacts → |
“Circle Pharma initiated operations in June 2014 with seed funding from Pfizer, Inc.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 13 | Mestrelab Research S.Lmestrelab.com HQ: HQ not recorded; location: Escondido, CA, United StatesReported employees: 51-200 | HQ not recorded; location: Escondido, CA, United States | 51-200 | Exact match | 70 contacts → |
“Mestrelab Research (Mestrelab) is a leading software development company specializing in innovative solutions for analytical chemistry.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 14 | Emoleculesemolecules.com HQ: HQ not recorded; location: San Diego, CA, United StatesReported employees: 51-200 | HQ not recorded; location: San Diego, CA, United States | 51-200 | Exact match | 67 contacts → |
“eMolecules is a leading chemical search-and-fulfillment platform that aims to reduce timelines in early drug discovery.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 15 | Tandemaitandemai.com HQ: HQ not recorded; location: New York, NY, United StatesReported employees: 51-200 | HQ not recorded; location: New York, NY, United States | 51-200 | Exact match | 48 contacts → |
“TandemAI is an advanced technology company dedicated to reinventing drug discovery infrastructure.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 16 | Primrose BIOprimrosebio.com HQ: HQ not recorded; location: San Diego, CA, United StatesReported employees: 51-200 | HQ not recorded; location: San Diego, CA, United States | 51-200 | Exact match | 47 contacts → |
“Primrose Bio offers radically new products and tools that unlock unexplored possibilities for the discovery, development, and manufacturing of new molecules.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 17 | VILYAvilyatx.com HQ: HQ not recorded; location: South San Francisco, CA, United StatesReported employees: 11-50 | HQ not recorded; location: South San Francisco, CA, United States | 11-50 | Exact match | 47 contacts → |
“Vilya is a cutting-edge computational biotechnology company, co-founded a team of scientists from from the Institute of Protein Design (IPD) led by David Baker, Ph.D.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 18 | Belharra Therapeuticsbelharratx.com HQ: HQ not recorded; location: San Diego, CA, United StatesReported employees: 51-200 | HQ not recorded; location: San Diego, CA, United States | 51-200 | Exact match | 46 contacts → |
“Belharra Therapeutics, Inc.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 19 | Vantaivant.ai HQ: HQ not recorded; location: New York, NY, United StatesReported employees: 11-50 | HQ not recorded; location: New York, NY, United States | 11-50 | Exact match | 43 contacts → |
“VantAI pairs bleeding-edge machine learning techniques with deep systems biology expertise to build computational models that uncover hidden relationships between molecules…” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 20 | Superluminal Medicines INCsuperluminalrx.com HQ: HQ not recorded; location: Boston, MA, United StatesReported employees: 11-50 | HQ not recorded; location: Boston, MA, United States | 11-50 | Exact match | 42 contacts → |
“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 description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 21 | Essential Software INCessential-soft.com HQ: HQ not recorded; location: Gaithersburg, MD, United StatesReported employees: 51-200 | HQ not recorded; location: Gaithersburg, MD, United States | 51-200 | Exact match | 42 contacts → |
No recorded description excerpt is available for this public record. | |||||
| 22 | Scilligencescilligence.com HQ: HQ not recorded; location: United StatesReported employees: 51-200 | HQ not recorded; location: United States | 51-200 | Exact match | 41 contacts → |
“Scilligence is a leading innovator of cross-platform, mobile cheminformatics and bioinformatics software solutions.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 23 | blackthorn.aiblackthorn.ai HQ: HQ not recorded; location: San Diego, CA, United StatesReported employees: 11-50 | HQ not recorded; location: San Diego, CA, United States | 11-50 | Exact match | 33 contacts → |
“We build secure, compliant, and scalable software solutions for biotech teams - from data infrastructure and LIMS to ML-powered molecule discovery tools.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 24 | Atomwiseatomwise.com HQ: HQ not recorded; location: San Francisco, CA, United StatesReported employees: 11-50 | HQ not recorded; location: San Francisco, CA, United States | 11-50 | Exact match | 31 contacts → |
“Atomwise is a preclinical pharma company revolutionizing how drugs are discovered with AI.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 25 | Nanomenanome.ai HQ: HQ not recorded; location: San Diego, CA, United StatesReported employees: 11-50 | HQ not recorded; location: San Diego, CA, United States | 11-50 | Exact match | 28 contacts → |
“Nanome is the ultimate interface for scientific discovery, starting with molecular data.” Recorded description excerpt · September 1, 2026Open company data in RevenueBase ↗Free signup required. | |||||
Showing 25 of 245 company matches
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Drug design software companies: dataset insights
September 1, 2026These summaries describe recorded coverage in this saved dataset. Coverage describes records in RevenueBase, rather than a census of every business in this market.
Reported company sizes
245 records in the displayed employee bands.
0 matching records are outside the displayed bands or do not have a displayed size. Bars show shares of the displayed bands.
How this company list was built
Describe a niche in your own words: companies installing commercial solar, or manufacturers of sustainable packaging. RevenueBase SmartSearch finds companies whose compiled business descriptions match by meaning. This list is one saved example to adapt.
Where the company descriptions come from
RevenueBase compiles company information from public sources, including company websites and public professional profiles such as LinkedIn, alongside information supplied by companies. The short recorded excerpt shown here is separate from the complete business description used for matching; individual source URLs and collection dates are not provided in this public snapshot.
RevenueBase SmartSearch matching settings
- Exact
- Closest fits to the business described.
- Similar
- Similar businesses with a wider range of fits.
- Related
- Related businesses in and around the category.
- Broad
- A broader set of businesses connected to the description.
RevenueBase SmartSearch · Exact match identifies inclusion in this search's closest semantic matching setting. It is not a per-company confidence score, a literal keyword match, or a quality endorsement.
Selection, ordering and scope
The public list shows selected company records with contact and verified-email coverage. Reported employee bands provide separate company-size context.
Coverage describes records in RevenueBase, rather than a census of every business in this market.
Recorded company descriptions support research; check company websites for current services. The selected preview is ordered by tracked contacts and is not a list of the best service providers.
Snapshot: September 1, 2026.
RevenueBase is a B2B data infrastructure company. Its September 3, 2026 published methodology describes a graph of 60 million companies and 398.9 million professional contacts; these platform figures differ from this page's totals. Published methodology ↗
Questions about this company list
What does Exact match mean for drug design software companies?
The separate RevenueBase SmartSearch column identifies inclusion at the closest semantic matching preset. It is not a literal keyword match, a per-company confidence score or a quality endorsement. Changing the search form opens a new search in RevenueBase; it does not reclassify these saved rows.
How many drug design software companies did RevenueBase find based in the United States?
The saved snapshot records 245 matching company records, 7,359 tracked contacts and 3,083 verified emails. The public preview displays 25 selected records.
Where do the company descriptions come from?
RevenueBase compiles company information from public sources, including company websites and public professional profiles such as LinkedIn, alongside information supplied by companies. The short recorded excerpt shown here is separate from the complete business description used for matching; individual source URLs and collection dates are not provided in this public snapshot.
How are the public companies ordered?
The selected public records are ordered by contacts tracked in RevenueBase, highest first. Contact coverage is a prospecting measure, not an assessment of the company's services or quality.
How can I get contact information?
Select a company's contact count to open its filtered contacts in RevenueBase. Free signup is required and includes 500 credits and limited free results. Verified emails, direct dials and mobile numbers depend on available coverage.
How current is this list?
Snapshot: September 1, 2026. Review each company's website for current services and locations. A recorded business description does not establish that every company offers every service named in the search.
What do headquarters and employee bands mean?
These are recorded company-level fields, rather than a map of every branch or a count of specialists. Missing headquarters or employee bands are labeled; older records may show a location separately from recorded headquarters.
Build your next target company list
Adapt this niche search and work with available contacts in RevenueBase.
Related lists
Drug design software companies by geography
Cite this list
RevenueBase Data Team. Top 25 drug design software companies based in the United States. Snapshot: September 1, 2026. https://revenuebase.ai/companies/drug-design-software-companies/united-states.
This is a selected public preview of saved company records, rather than an independently verified census. Open the source page ↗
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