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.

Drug Discovery Revolution


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.

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

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 ...

Current news

Drug Discovery Unchained: What The Drug!? #2
Wed, 14 Aug 2024, 16:00 CEST (Berlin)
What happens when somebody asks you to do drug discovery? No preparation, no script, no nothing. Just live performing and sharing your thoughts. This is “What The Drug!?”: a live session tackling a drug discovery challenge using BioSolveIT tools, with the aim of reaching a conclusion in a reasonable time...
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Chemical Space Docking Beta Test Phase Ends August 31
July 19, 2024 01:27 CEST
Deadline to Apply: August 31, 2024 Are you looking for the next big thing in drug discovery? Look no further than Chemical Space Docking – BioSolveIT’s innovative approach to exploring more than billions of chemical compounds. Chemical Space Docking is a novel structure-based exploration method that mines the best drug...
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R Group Search Support and Ad Hoc Libraries — infiniSee 6.1 'Echo' Update
June 24, 2024 16:44 CEST
R group search is now supported in the Motif Matcher of infiniSee 6.1. Among several upgrades and augmentations, users will find this functionality to be the most convenient when it comes down to precisely navigating in ultra-large Chemical Spaces. By adding one or more R groups to a molecule in...
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