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AMBrosia Just Got Bigger: 126 Billion Compound Update Now Available
June 11, 2025 13:21 CEST
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Webinars
Accelerating Drug Discovery with AI — Small Molecules and Beyond
Thu, 19 Jun 2025, 16:00 CEST (Berlin)
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Webinars
Hit Finding, Fast and Structure-Based — A Case Study on WRN Helicase
Thu, 05 Jun 2025, 16:00 CEST

Your Partner to Escape Velocity

We at BioSolveIT aim to transform how researchers approach virtual drug discovery. For more than two decades, we craft the most user-friendly drug discovery products infused with scientifically excellent ingredients.
Our software is designed and developed to help you succeed with your projects in the most interactive and efficient way.

We Are Not Like Other Companies

Instead of processing vast amounts of data by brute force, we employ a clever shortcut: combinatorial chemistry.
This enables the efficient screening of trillion-sized compound collections in a flash, without compromising the quality of results.

SeeSAR

SeeSAR

SeeSAR is your intuitive, visual drug design platform. Covering every step of your drug discovery process — from virtual screening to fragment-based design — SeeSAR fosters ideation in the most fun and comprehensive way.
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infiniSee

infiniSee

infiniSee is your Chemical Space navigation platform. Based on similarity, infiniSee finds molecules of interest in screening libraries or Chemical Spaces of almost infinite size. Given a template or query molecule, infiniSee returns unexpectedly similar molecules.
Set sail
infiniSee xREAL

infiniSee xREAL

Your exclusive access point to Enamine's largest compound catalog of drug-like molecules. Browse through trillions of candidates conveniently and efficiently on your own hardware.
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HPSee

HPSee

HPSee empowers your team with seamless access to high-performance computing.
Orchestrate jobs, upscale your possibilities and optimize your workflows to achieve uncompromising results in a comfortable timeframe.
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Chemical Space Docking™

Chemical Space Docking™

Looking for the next big thing?
Chemical Space Docking™ is BioSolveIT's response to structure-based exploration of more than billions of compounds.
The novel approach mines the best drug candidates with exceptional efficiency and sophistication.
Mine from molecule clusters

Drug Discovery Revolution

research

Lead the field

Work with precision at unrivaled speed to make informed decisions backed up by science. To meet the challenges of modern drug discovery, take advantage of BioSolveIT’s detailed and precise results — without compromise. We will address every step of your needs, from start to finish.
partners

Discover with confidence

Profit from our long-standing experience and collaboration history with Fortune 100 pharma companies and academia. Our secure software has been developed and backed by renowned partners - including BAYER, Roche, Merck, BASF, and others. BioSolveIT’s success record is cited in thousands of publications worldwide.
start right away

Start right away

BioSolveIT’s technology is fine-tuned for the needs of the pharma industry, academics, beginners, and veterans alike. Clean and comprehensive user interface removes the need for a learning curve. Easy access fostered by intuitive operation will maximize the likelihood of your success. Simply download the multiplatform software and discover active molecules!
drug discovery evolution

Experience drug discovery

Evolve the way you approach drug design, with the most liberating breakthrough. The stimulating interface creates a dialog between you and your compound where you can see why something is considered good or bad. Clean visualization combined with scientific finesse mold into a fun-to-use drug design experience.

Drug Discovery Revolution

Chemical Spaces: Ultra-Large Collections of Accessible Compounds

Chemical Spaces are the heartbeat of the next generation of small molecule drug discovery.
They represent compound clusters containing an astronomical amount of drug candidates that are synthetically accessible. Various compound providers offer individual Chemical Spaces containing make-on-demand molecules that can be purchased and delivered to your location within a few weeks.

BioSolveIT develops technology to create combinatorial Chemical Spaces and to mine relevant chemistry from more than billions of molecular entries at ultra-fast speed.

Dive Into the Universe of Chemical Spaces

Start your journey

Want Us to Find Actives for You?

As your contract research partner, BioSolveIT can support your in your drug discovery challenges. Our team of experts in medicinal and computational chemistry with decades of experience deploy our proprietary solutions across the whole drug discovery process to help you achieve your goals.
  • Chemical Space Docking — Screen billion-sized Chemical Spaces for the most promising and accessible drug candidates
  • Set-up of your own Chemical Space — Exploit all possibilities of your in-house chemistry
  • Scaffold hopping — Access novel molecular intellectual property
  • And many more ...
Discover our services

Scientific Challenge:
Succeed with Your Research

The Scientific Challenge is a BioSolveIT initiative to support researchers from academia and independent individuals.
Participants will receive access to our software and tools for a full year to work on their drug discovery project. Among all proposals, the best achievement will additionally be rewarded with a research grant.

A new contest starts every three months.
Participate

Current news
AMBrosia Just Got Bigger: 126 Billion Compound Update Now Available
June 11, 2025 13:21 CEST
We are thrilled to announce a major update to the AMBrosia Chemical Space in collaboration with Ambinter! The state-of-the-art source for diverse drug-like scaffolds now boasts an incredible 126 billion of synthetically accessible compounds for drug discovery projects. What does the update feature? Expanded to an astounding 125,924,571,692 compounds (1.26...
Read on
category
Webinars
Accelerating Drug Discovery with AI — Small Molecules and Beyond
Thu, 19 Jun 2025, 16:00 CEST (Berlin)
Machine learning and AI are transforming drug discovery, impacting areas like target assessment, chemical space exploration, and compound optimization. At AstraZeneca, AI technologies such as protein folding and REINVENT push the boundaries of protein structure prediction and molecular ideation. Further, the field is advancing with PROTACs (proteolytic targeting chimeras), which...
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category
Webinars
Hit Finding, Fast and Structure-Based — A Case Study on WRN Helicase
Thu, 05 Jun 2025, 16:00 CEST
BioSolveIT and Proteros invite to a joint webinar with the title: Hit Finding, Fast and Structure-Based — A Case Study on WRN Helicase Crystallographic Fragment Screening Combined with Fragment Evolution Using Chemical Space Docking™ into Enamine REAL The speakers will report on a highly cost-efficient, novel hit finding approach towards...
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