Company lists · Data refreshed October 2026
Top 25 AI medication chemistry simulation software companies worldwide
RevenueBase identified 1,076 company matches for AI medication chemistry simulation software companies worldwide as of October 2026 and tracks 22,543 professional contacts across them, including 9,848 with verified work emails. The United States is the largest market and London the largest hub.
This list covers company matches for AI medication chemistry simulation software companies worldwide, 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. Country and city lists for AI medication chemistry simulation software companies follow the table.
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 AI medication chemistry simulation software companies worldwide
Ranked by team size| # | Company | Contacts | |||
|---|---|---|---|---|---|
| 1 | 1,950 contacts → | ||||
Exact match “ArisGlobal is an AI-first technology company at the forefront of life sciences and the creator of LifeSphere®, the platform trusted by hundreds of life sciences organizations…” Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 2 | 1,190 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 · Oct 20, 2026 · View company records in RevenueBase | |||||
| 3 | 966 contacts → | ||||
Exact match “Schrödinger’s industry-leading computational platform facilitates the research efforts of biopharmaceutical and industrial companies, academic institutions, and government…” Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 4 | 869 contacts → | ||||
Exact match “We are rebuilding biotech for the AI era.” Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 5 | 455 contacts → | ||||
Exact match “Dotmatics is the global leader in R&D scientific software that connects science, data, and decision-making.” Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 6 | 434 contacts → | ||||
Exact match “Isomorphic Labs is here to advance human health by building on and beyond the Nobel-winning AlphaFold system.” Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 7 | 406 contacts → | ||||
Exact match “Owkin is building the first BASI to unlock breakthroughs in therapies, diagnostics, and rejuvenation, while reshaping how humanity understands and engineers biology.” Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 8 | 403 contacts → | ||||
Exact match “Genedata transforms biopharma data into intelligence.” Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 9 | 384 contacts → | ||||
Exact match “Enveda is a biotechnology company that is learning from life’s chemistry to create better medicines faster.” Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 10 | 292 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 · Oct 20, 2026 · View company records in RevenueBase | |||||
| 11 | 273 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 | |||||
| 12 | 252 contacts → | ||||
Exact match Recorded description not available. Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 13 | 248 contacts → | ||||
Exact match “We are a quantum physics-based, AI-powered drug R&D company with the mission to revolutionize drug discovery and development by improving the speed, scale, novelty and success…” Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 14 | 214 contacts → | ||||
Exact match “At PI Health Sciences, we provide fully integrated drug discovery solutions, combining synthetic and medicinal chemistry, biology, and AI-driven technologies.” Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 15 | 203 contacts → | ||||
Exact match “Xaira Therapeutics is an integrated biotechnology company driving advances in artificial intelligence to learn the language of life and transform how we treat disease.” Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 16 | 200 contacts → | ||||
Exact match “Valo is a technology company built to transform drug discovery and development using large-scale data and AI-powered computation.” Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 17 | 194 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 · Oct 20, 2026 · View company records in RevenueBase | |||||
| 18 | 194 contacts → | ||||
Exact match “Formation Bio is an AI-native pharma company differentiated by radically more efficient drug development.” Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 19 | 190 contacts → | ||||
Exact match “Absci is a data-first AI drug creation company designing differentiated therapeutics using generative AI.” Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 20 | 184 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 | |||||
| 21 | 178 contacts → | ||||
Exact match “Chemaxon is a leading cheminformatics company, setting the industry standard for quality and accuracy.” Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 22 | 176 contacts → | ||||
Exact match “Accelerating molecular discovery through the power of Chemputation.” Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 23 | 167 contacts → | ||||
Exact match “D.” Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 24 | 162 contacts → | ||||
Exact match “Iambic is a clinical-stage life sciences & technology company developing novel medicines using its AI-driven platform.” Recorded in the RevenueBase company graph · Oct 20, 2026 · View company records in RevenueBase | |||||
| 25 | 156 contacts → | ||||
Exact match “Proteros is an early drug discovery partner for even the most technically challenging targets, from target through to lead progression.” Recorded in the RevenueBase company graph · Oct 20, 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 “AI medication chemistry simulation 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 1,076 AI medication chemistry simulation software companies worldwide
See the full list, filter by size, metro and specialty, and access 9,848 tracked professional contacts with verified work emails. Direct dials are available where recorded.
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AI medication chemistry simulation software companies worldwide at a glance
As of Oct 20, 2026Companies by employee count
Email recency is reported on each country list linked below.
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.
- Coverage
- Every country. Country and city lists for AI medication chemistry simulation software companies are linked below.
- What qualifies
- Company records worldwide 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. 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 9,848 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.
AI medication chemistry simulation software companies by location
9 lists · largest firstEvery AI medication chemistry simulation software companies list RevenueBase publishes, by country and city. Counts are matching companies in each list as of its own refresh date.
Countries
- AI medication chemistry simulation software companies based in the United States315
- AI medication chemistry simulation software companies based in the United Kingdom82
- AI medication chemistry simulation software companies based in India52
- AI medication chemistry simulation software companies based in Canada43
- AI medication chemistry simulation software companies based in Germany35
- AI medication chemistry simulation software companies based in France29
Cities
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 worldwide?
RevenueBase identified 1,076 company matches for AI medication chemistry simulation software companies worldwide 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?
Arisglobal tops the displayed preview by professional contacts tracked in RevenueBase. Recorded headquarters appear in the company rows.
Which country has the most AI medication chemistry simulation software companies?
The United States leads with 315 companies, followed by the United Kingdom (82) and India (52). Every AI medication chemistry simulation software companies list by country and city is linked on this page.
Which city has the most AI medication chemistry simulation software companies?
London leads with 34 company records, followed by Cambridge (30) and Boston (28).
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 9,848 professional contacts with verified work emails tracked across these 1,076 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.
Ready to reach these companies? Verified emails and direct dials for all 1,076 AI medication chemistry simulation software companies worldwide. Start with a free account, no credit card.
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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.
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Company intelligence · public preview
Top 25 AI medication chemistry simulation software companies worldwide
Find companies in any niche.
Describe the businesses you want in your own words. RevenueBase SmartSearch matches company descriptions by meaning.
RevenueBase records 1,076 matching company records for AI medication chemistry simulation software companies worldwide, with 22,543 tracked contacts and 9,848 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: October 20, 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 AI medication chemistry simulation software companies worldwide
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: Waltham, MA, United StatesReported employees: 1,001-5,000 | Waltham, MA, United States | 1,001-5,000 | Exact match | 1,950 contacts → |
“ArisGlobal is an AI-first technology company at the forefront of life sciences and the creator of LifeSphere®, the platform trusted by hundreds of life sciences organizations…” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 2 |  Certaracertara.comHQ: Radnor, PA, United StatesReported employees: 1,001-5,000 | Radnor, PA, United States | 1,001-5,000 | Exact match | 1,190 contacts → |
“Certara accelerates medicines using proprietary biosimulation software, technology and services to transform traditional drug discovery and development.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 3 |  Schrödingerschrodinger.comHQ: New York, NY, United StatesReported employees: 501-1,000 | New York, NY, United States | 501-1,000 | Exact match | 966 contacts → |
“Schrödinger’s industry-leading computational platform facilitates the research efforts of biopharmaceutical and industrial companies, academic institutions, and government…” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 4 |  Benchlingbenchling.comHQ: San Francisco, CA, United StatesReported employees: 501-1,000 | San Francisco, CA, United States | 501-1,000 | Exact match | 869 contacts → |
“We are rebuilding biotech for the AI era.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 5 |  Dotmaticsdotmatics.comHQ: Boston, MA, United StatesReported employees: 501-1,000 | Boston, MA, United States | 501-1,000 | Exact match | 455 contacts → |
“Dotmatics is the global leader in R&D scientific software that connects science, data, and decision-making.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 6 |  Isomorphic Labsisomorphiclabs.comHQ: London, United KingdomReported employees: 201-500 | London, United Kingdom | 201-500 | Exact match | 434 contacts → |
“Isomorphic Labs is here to advance human health by building on and beyond the Nobel-winning AlphaFold system.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 7 |  OWKINowkin.comHQ: New York, NY, United StatesReported employees: 201-500 | New York, NY, United States | 201-500 | Exact match | 406 contacts → |
“Owkin is building the first BASI to unlock breakthroughs in therapies, diagnostics, and rejuvenation, while reshaping how humanity understands and engineers biology.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 8 |  Genedatagenedata.comHQ: Basel, SwitzerlandReported employees: 201-500 | Basel, Switzerland | 201-500 | Exact match | 403 contacts → |
“Genedata transforms biopharma data into intelligence.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 9 |  Envedaenveda.comHQ: Boulder, CO, United StatesReported employees: 201-500 | Boulder, CO, United States | 201-500 | Exact match | 384 contacts → |
“Enveda is a biotechnology company that is learning from life’s chemistry to create better medicines faster.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 10 |  Insilico Medicineinsilico.comHQ: Boston, MA, United StatesReported employees: 201-500 | Boston, MA, United States | 201-500 | Exact match | 292 contacts → |
“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 description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 11 |  Benchscibenchsci.comHQ: Toronto, ON, CanadaReported employees: 201-500 | Toronto, ON, Canada | 201-500 | Exact match | 273 contacts → |
“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 description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 12 |  Paraza Pharma INCparazapharma.comHQ: Montreal, QC, CanadaReported employees: 201-500 | Montreal, QC, Canada | 201-500 | Exact match | 252 contacts → |
No recorded description excerpt is available for this public record. | |||||
| 13 |  Xtalpi INCxtalpi.comHQ: Cambridge, MA, United StatesReported employees: 501-1,000 | Cambridge, MA, United States | 501-1,000 | Exact match | 248 contacts → |
“We are a quantum physics-based, AI-powered drug R&D company with the mission to revolutionize drug discovery and development by improving the speed, scale, novelty and success…” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 14 |  PI Health Sciences LTDpihealthsciences.comHQ: Hyderabad, IndiaReported employees: 501-1,000 | Hyderabad, India | 501-1,000 | Exact match | 214 contacts → |
“At PI Health Sciences, we provide fully integrated drug discovery solutions, combining synthetic and medicinal chemistry, biology, and AI-driven technologies.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 15 |  Xaira Therapeuticsxaira.comHQ: South San Francisco, United StatesReported employees: 51-200 | South San Francisco, United States | 51-200 | Exact match | 203 contacts → |
“Xaira Therapeutics is an integrated biotechnology company driving advances in artificial intelligence to learn the language of life and transform how we treat disease.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 16 |  Valo Healthvalohealth.comHQ: Lexington, NY, United StatesReported employees: 51-200 | Lexington, NY, United States | 51-200 | Exact match | 200 contacts → |
“Valo is a technology company built to transform drug discovery and development using large-scale data and AI-powered computation.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 17 |  Simulations Plus, INCsimulations-plus.comHQ: Durham, NC, United StatesReported employees: 201-500 | Durham, NC, United States | 201-500 | Exact match | 194 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 · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 18 |  Formation BIOformation.bioHQ: New York, NY, United StatesReported employees: 51-200 | New York, NY, United States | 51-200 | Exact match | 194 contacts → |
“Formation Bio is an AI-native pharma company differentiated by radically more efficient drug development.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 19 |  ABSCIabsci.comHQ: Vancouver, WA, United StatesReported employees: 51-200 | Vancouver, WA, United States | 51-200 | Exact match | 190 contacts → |
“Absci is a data-first AI drug creation company designing differentiated therapeutics using generative AI.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 20 | HQ: Toronto, ON, CanadaReported employees: 201-500 | Toronto, ON, Canada | 201-500 | Exact match | 184 contacts → |
“Advanced Chemistry Development, Inc,(ACD/Labs) develops and commercialzes informatics solutions for chemical, biochemical, and pharmaceutical R&D.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 21 |  Chemaxonchemaxon.comHQ: Budapest, HungaryReported employees: 201-500 | Budapest, Hungary | 201-500 | Exact match | 178 contacts → |
“Chemaxon is a leading cheminformatics company, setting the industry standard for quality and accuracy.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 22 |  Chemify Limitedchemify.ioHQ: Glasgow, United KingdomReported employees: 51-200 | Glasgow, United Kingdom | 51-200 | Exact match | 176 contacts → |
“Accelerating molecular discovery through the power of Chemputation.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 23 |  D. E. Shaw Researchdeshawresearch.comHQ: New York, NY, United StatesReported employees: 51-200 | New York, NY, United States | 51-200 | Exact match | 167 contacts → |
“D.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 24 |  Iambiciambic.aiHQ: San Diego, CA, United StatesReported employees: 51-200 | San Diego, CA, United States | 51-200 | Exact match | 162 contacts → |
“Iambic is a clinical-stage life sciences & technology company developing novel medicines using its AI-driven platform.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 25 |  Proteros Biostructures Gmbhproteros.comHQ: Planegg-martinsried, GermanyReported employees: 51-200 | Planegg-martinsried, Germany | 51-200 | Exact match | 156 contacts → |
“Proteros is an early drug discovery partner for even the most technically challenging targets, from target through to lead progression.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
Showing 25 of 1,076 company matches
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AI medication chemistry simulation software companies: dataset insights
October 20, 2026These summaries describe recorded coverage in this saved dataset. This page is derived from saved source records; per-contact mobile coverage and email-recency results are not established by this snapshot.
Reported company sizes
1,075 records in the displayed employee bands.
1 matching records are outside the displayed bands or do not have a displayed size. Bars show shares of the displayed bands.
Email recency for this list is measured across the whole country list rather than for Worldwide, so it is reported there. Company counts and contact totals on this page are exact for Worldwide, over 1,076 companies.
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.
This page is derived from saved source records; per-contact mobile coverage and email-recency results are not established by this snapshot.
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: October 20, 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 ↗
AI medication chemistry simulation software companies by location
9 lists · largest firstEvery AI medication chemistry simulation software companies list RevenueBase publishes, by country and city. Counts are matching companies in each list as of its own refresh date.
Countries
- AI medication chemistry simulation software companies based in the United States315
- AI medication chemistry simulation software companies based in the United Kingdom82
- AI medication chemistry simulation software companies based in India52
- AI medication chemistry simulation software companies based in Canada43
- AI medication chemistry simulation software companies based in Germany35
- AI medication chemistry simulation software companies based in France29
Cities
Questions about this company list
What does Exact match mean for AI medication chemistry simulation 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 AI medication chemistry simulation software companies did RevenueBase find worldwide?
The saved snapshot records 1,076 matching company records, 22,543 tracked contacts and 9,848 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: October 20, 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.
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Cite this list
RevenueBase Data Team. Top 25 AI medication chemistry simulation software companies worldwide. Snapshot: October 20, 2026. https://revenuebase.ai/companies/browse/ai-medication-chemistry-simulation-software-companies.
This is a selected public preview of saved company records, rather than an independently verified census. Open the source page ↗
More company lists
Company intelligence · public preview
Top 25 AI medication chemistry simulation software companies worldwide
RevenueBase records 1,076 matching company records for AI medication chemistry simulation software companies worldwide, with 22,543 tracked contacts and 9,848 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: October 20, 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 AI medication chemistry simulation software companies worldwide
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: Waltham, MA, United StatesReported employees: 1,001-5,000 | Waltham, MA, United States | 1,001-5,000 | Exact match | 1,950 contacts → |
“ArisGlobal is an AI-first technology company at the forefront of life sciences and the creator of LifeSphere®, the platform trusted by hundreds of life sciences organizations…” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 2 | Certaracertara.com HQ: Radnor, PA, United StatesReported employees: 1,001-5,000 | Radnor, PA, United States | 1,001-5,000 | Exact match | 1,190 contacts → |
“Certara accelerates medicines using proprietary biosimulation software, technology and services to transform traditional drug discovery and development.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 3 | Schrödingerschrodinger.com HQ: New York, NY, United StatesReported employees: 501-1,000 | New York, NY, United States | 501-1,000 | Exact match | 966 contacts → |
“Schrödinger’s industry-leading computational platform facilitates the research efforts of biopharmaceutical and industrial companies, academic institutions, and government…” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 4 | Benchlingbenchling.com HQ: San Francisco, CA, United StatesReported employees: 501-1,000 | San Francisco, CA, United States | 501-1,000 | Exact match | 869 contacts → |
“We are rebuilding biotech for the AI era.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 5 | Dotmaticsdotmatics.com HQ: Boston, MA, United StatesReported employees: 501-1,000 | Boston, MA, United States | 501-1,000 | Exact match | 455 contacts → |
“Dotmatics is the global leader in R&D scientific software that connects science, data, and decision-making.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 6 | Isomorphic Labsisomorphiclabs.com HQ: London, United KingdomReported employees: 201-500 | London, United Kingdom | 201-500 | Exact match | 434 contacts → |
“Isomorphic Labs is here to advance human health by building on and beyond the Nobel-winning AlphaFold system.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 7 | OWKINowkin.com HQ: New York, NY, United StatesReported employees: 201-500 | New York, NY, United States | 201-500 | Exact match | 406 contacts → |
“Owkin is building the first BASI to unlock breakthroughs in therapies, diagnostics, and rejuvenation, while reshaping how humanity understands and engineers biology.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 8 | Genedatagenedata.com HQ: Basel, SwitzerlandReported employees: 201-500 | Basel, Switzerland | 201-500 | Exact match | 403 contacts → |
“Genedata transforms biopharma data into intelligence.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 9 | Envedaenveda.com HQ: Boulder, CO, United StatesReported employees: 201-500 | Boulder, CO, United States | 201-500 | Exact match | 384 contacts → |
“Enveda is a biotechnology company that is learning from life’s chemistry to create better medicines faster.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 10 | Insilico Medicineinsilico.com HQ: Boston, MA, United StatesReported employees: 201-500 | Boston, MA, United States | 201-500 | Exact match | 292 contacts → |
“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 description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 11 | Benchscibenchsci.com HQ: Toronto, ON, CanadaReported employees: 201-500 | Toronto, ON, Canada | 201-500 | Exact match | 273 contacts → |
“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 description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 12 | Paraza Pharma INCparazapharma.com HQ: Montreal, QC, CanadaReported employees: 201-500 | Montreal, QC, Canada | 201-500 | Exact match | 252 contacts → |
No recorded description excerpt is available for this public record. | |||||
| 13 | Xtalpi INCxtalpi.com HQ: Cambridge, MA, United StatesReported employees: 501-1,000 | Cambridge, MA, United States | 501-1,000 | Exact match | 248 contacts → |
“We are a quantum physics-based, AI-powered drug R&D company with the mission to revolutionize drug discovery and development by improving the speed, scale, novelty and success…” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 14 | PI Health Sciences LTDpihealthsciences.com HQ: Hyderabad, IndiaReported employees: 501-1,000 | Hyderabad, India | 501-1,000 | Exact match | 214 contacts → |
“At PI Health Sciences, we provide fully integrated drug discovery solutions, combining synthetic and medicinal chemistry, biology, and AI-driven technologies.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 15 | Xaira Therapeuticsxaira.com HQ: South San Francisco, United StatesReported employees: 51-200 | South San Francisco, United States | 51-200 | Exact match | 203 contacts → |
“Xaira Therapeutics is an integrated biotechnology company driving advances in artificial intelligence to learn the language of life and transform how we treat disease.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 16 | Valo Healthvalohealth.com HQ: Lexington, NY, United StatesReported employees: 51-200 | Lexington, NY, United States | 51-200 | Exact match | 200 contacts → |
“Valo is a technology company built to transform drug discovery and development using large-scale data and AI-powered computation.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 17 | Simulations Plus, INCsimulations-plus.com HQ: Durham, NC, United StatesReported employees: 201-500 | Durham, NC, United States | 201-500 | Exact match | 194 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 · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 18 | Formation BIOformation.bio HQ: New York, NY, United StatesReported employees: 51-200 | New York, NY, United States | 51-200 | Exact match | 194 contacts → |
“Formation Bio is an AI-native pharma company differentiated by radically more efficient drug development.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 19 | ABSCIabsci.com HQ: Vancouver, WA, United StatesReported employees: 51-200 | Vancouver, WA, United States | 51-200 | Exact match | 190 contacts → |
“Absci is a data-first AI drug creation company designing differentiated therapeutics using generative AI.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 20 | HQ: Toronto, ON, CanadaReported employees: 201-500 | Toronto, ON, Canada | 201-500 | Exact match | 184 contacts → |
“Advanced Chemistry Development, Inc,(ACD/Labs) develops and commercialzes informatics solutions for chemical, biochemical, and pharmaceutical R&D.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 21 | Chemaxonchemaxon.com HQ: Budapest, HungaryReported employees: 201-500 | Budapest, Hungary | 201-500 | Exact match | 178 contacts → |
“Chemaxon is a leading cheminformatics company, setting the industry standard for quality and accuracy.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 22 | Chemify Limitedchemify.io HQ: Glasgow, United KingdomReported employees: 51-200 | Glasgow, United Kingdom | 51-200 | Exact match | 176 contacts → |
“Accelerating molecular discovery through the power of Chemputation.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 23 | D. E. Shaw Researchdeshawresearch.com HQ: New York, NY, United StatesReported employees: 51-200 | New York, NY, United States | 51-200 | Exact match | 167 contacts → |
“D.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 24 | Iambiciambic.ai HQ: San Diego, CA, United StatesReported employees: 51-200 | San Diego, CA, United States | 51-200 | Exact match | 162 contacts → |
“Iambic is a clinical-stage life sciences & technology company developing novel medicines using its AI-driven platform.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
| 25 | Proteros Biostructures Gmbhproteros.com HQ: Planegg-martinsried, GermanyReported employees: 51-200 | Planegg-martinsried, Germany | 51-200 | Exact match | 156 contacts → |
“Proteros is an early drug discovery partner for even the most technically challenging targets, from target through to lead progression.” Recorded description excerpt · October 20, 2026Open company data in RevenueBase ↗Free signup required. | |||||
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AI medication chemistry simulation software companies: dataset insights
October 20, 2026These summaries describe recorded coverage in this saved dataset. This page is derived from saved source records; per-contact mobile coverage and email-recency results are not established by this snapshot.
Reported company sizes
1,075 records in the displayed employee bands.
1 matching records are outside the displayed bands or do not have a displayed size. Bars show shares of the displayed bands.
Email recency for this list is measured across the whole country list rather than for Worldwide, so it is reported there. Company counts and contact totals on this page are exact for Worldwide, over 1,076 companies.
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.
This page is derived from saved source records; per-contact mobile coverage and email-recency results are not established by this snapshot.
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: October 20, 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 ↗
AI medication chemistry simulation software companies by location
9 lists · largest firstEvery AI medication chemistry simulation software companies list RevenueBase publishes, by country and city. Counts are matching companies in each list as of its own refresh date.
Countries
- AI medication chemistry simulation software companies based in the United States315
- AI medication chemistry simulation software companies based in the United Kingdom82
- AI medication chemistry simulation software companies based in India52
- AI medication chemistry simulation software companies based in Canada43
- AI medication chemistry simulation software companies based in Germany35
- AI medication chemistry simulation software companies based in France29
Cities
Questions about this company list
What does Exact match mean for AI medication chemistry simulation 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 AI medication chemistry simulation software companies did RevenueBase find worldwide?
The saved snapshot records 1,076 matching company records, 22,543 tracked contacts and 9,848 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: October 20, 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
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Cite this list
RevenueBase Data Team. Top 25 AI medication chemistry simulation software companies worldwide. Snapshot: October 20, 2026. https://revenuebase.ai/companies/browse/ai-medication-chemistry-simulation-software-companies.
This is a selected public preview of saved company records, rather than an independently verified census. Open the source page ↗