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

The Novel Class of SARS-CoV-2 Mpro Inhibitors: Systematic Design, Synthesis, Biological Evaluation, Antiviral Activity, and Structural Insights
Thu, 25 Apr 2024, 16:00 CEST (Berlin)
The coronavirus disease 2019 (COVID-19) is shifting from pandemic to endemic, but the etiological agent, SARS coronavirus-2 (SARS-CoV-2)[1], is still spreading and causing public health issues around the world. The emergence of new variants that have multiple mutations in the spike protein partially leads to evade neutralization by antibodies in...
Read on
Introduction to infiniSee 6 'Echo': Completing the Trinity of Chemical Space Navigation
Thu, 28 Mar 2024, 16:00 CET
With the recent release of infiniSee 6 — code-name ‘Echo’ — BioSolveIT’s Chemical Space navigation platform receives its third search method to mine compounds of interest from ultra-large molecule collections. Drug discovery enthusiasts can now select between three modes to dive into Chemical Spaces: Scaffold Hopper, Analog Hunter, and Motif...
Read on
Martin Schwalm Emerges as Winner of Scientific Challenge Spring 2023
March 15, 2024 14:44 CET
The Scientific Challenge Spring 2023 comes to a conclusion: Martin Schwalm from the University of Frankfurt wins with his project “Identifying Binders to Hijack the Autophagy System for Targeted Protein Degradation”! The study aimed to identify binders for the LC3A protein’s hydrophobic binding site, a crucial target for drug discovery...
Read on