Company Profile

BioSolveIT, a German drug discovery software company, established in 2001.
We pioneer the exploration of ultra-large Chemical Spaces and facilitate state-of-the-art drug discovery design with fast and easy-to-use software.

Our applications are designed to enable both modeling beginners and veterans to efficiently tackle and overcome modern drug discovery challenges. The trusted tools support you in structure- and ligand-based drug discovery to inspire you with new, vivid ideas.
As a result, our software is not only integral for hit identification and lead optimization but—more importantly—a reliable tool that is a pleasure to use every day.

Our success model is carried out from our HQ in Sankt Augustin, Germany, to the world. Our proprietary algorithms are developed in close dialogue with global players and are continuously enhanced to match the adopting drug discovery landscape.

A noticeable trend in recent years has been the scaling of molecular collections to unprecedented dimensions. The credo "the more, the better" has already been confirmed in numerous publications: larger datasets yield more and better compounds in virtual screening campaigns. At the same time, this goes hand in hand with new molecular scaffolds and the associated novel IP, which plays a crucial role in the profitability of drug development.

The most straightforward solution for handling the vast amounts of data required is to simply provide more computing power: more hardware – more capacity. However, the problem is that the volume scales with the number of screened compounds. Once you pass the border to billions, the setup can become expensive and complex. With each additional order of magnitude in dataset size, the question grows louder: to what extent does the computational approach remain efficient, faster, and cost-effective?

It is public knowledge that if you want to screen ultra-large compound collections for drug candidates, there’s no way around BioSolveIT. The largest compound hunting grounds—combinatorial Chemical Spaces—can be generated with our software.

The biggest players in the pharmaceutical industry have created their own spaces and use them to search for relevant compounds that can be synthesized in just a few steps, allowing them to reach valuable results even faster.

The continuous dialogue with our customers and leading experts helps us develop software that represents a whole arsenal of versatile tools for the drug discovery process.
From hit identification to lead optimization, our portfolio comprehensively covers a wide range of discovery use cases, significantly accelerating the early stages.

The core essence of our software philosophy is to enable everyone to achieve their set goals quickly and efficiently. This is reflected in the fact that our software is designed to be particularly user-friendly and can be mastered in no time.
Users are therefore not tied up for weeks or even months until productive performance but can fully leverage the software’s capabilities after a short period.

The mentioned Chemical Spaces come with an additional twist that reduces costs and significantly accelerates the discovery process: Through collaborations with compound suppliers, we have generated a variety of commercial Chemical Spaces whose content is not only synthetically accessible but even available for on-demand ordering.