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

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

Tailored Towards Your Needs — eXplore Space Update
November 21, 2023 13:07 CET
We are thrilled to unveil the latest issue of the ultra-large Chemical Space “eXplore” from eMolecules. In this third version, our team has engaged in collaborative endeavors with experts from eMolecules to fine-tune reactions and enhance the collection of building blocks, contributing to the refinement of an already remarkably diverse...
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Adverse Drug Reactions and Drug Delivery
Thu, 30 Nov 2023, 16:00 CET
Adverse drug reactions (ADRs) are not only a significant concern in public health but also one of the main challenges in drug discovery. This is especially true for anti-cancer drug development, which is slow and costly; ADRs can also be the cause of drug withdrawals from the market. The interactions...
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Substructure Search in Trillion-Sized Spaces: SpaceMACS is Here!
November 15, 2023 15:10 CET
Now you can finally search & find substructures in those ultra-vast make-on-demand Chemical Spaces. We are introducing SpaceMACS: A novel, enabling Chemical Space exploration tool to mine relevant compounds based on a maximum common substructure (hence Space*MACS*). Given a query molecule, SpaceMACS screens trillion-sized combinatorial Chemical Spaces within seconds for...
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