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The drug discovery revolution

Hike in activity landscapes with the 3D modeling platform SeeSAR and set sail to endless chemical spaces with infiniSee. Our toolkit portfolio covers any computational chemist's and molecular modeler's needs from the fields of structure-based, ligand-based, and fragment-based drug design. Use our tools to accomplish a range of tasks such as design, visualization, and alignment of ligand libraries, virtual screening for hit identification, ligand optimization, scaffold hopping, and the design of compound mimics. Based on sound and transparent science, and polished over years of experience and collaboration with big pharma companies, our fast, visual, and easy software will become your interactive partner for modern and sophisticated drug discovery.

Your interactive companion

The discovery process of suitable drug candidates requires a reliable Swiss Army knife software toolkit with comprehensible results. Interplay between smooth operation, visualized structure-activity relationships, transparent science, interactive feedback, and calculation speed are key to successful projects. SeeSAR is every modelers SAR and ADME dashboard, created to support and lead every drug development process. With the SeeSAR platform you can estimate affinities with HYDE binding assessment and phsyicochemical properties of your compounds within seconds. Explore binding sites and perform docking studies with you ligands. With our provided indexed fragment libraries you can link molecule fragments, grow into unoccupied binding cavities, or even replace the very core of your compound with a suitable scaffold. The visual 3D guidance supports you in your decision making-process and inspires you with creative solutions and structures. Experience drug discovery like never before.

Your molecule is out there. You just have to find it.

Looking for the needle in a sheer endless amount of haystacks? Imagine if you could find any structure in unprecedentedly large chemical spaces at lightning speed, and have it on your table within few weeks. We brought this into reality. infiniSee searches in chemical spaces of colossal sizes for interesting and available results.

Accessible results


The concept is strikingly simple: the chemical spaces include chemically accessible results. After selecting a template molecule of interest and defining the parameters to match your preferences, infiniSee starts its search and gives you distantly-related yet similar compounds within seconds. Using one of our partners' on-demand chemical spaces provides you with commercially available molecules. You can even create your own chemical space with your in-house knowledge, and discover possibilities unique to your team.
Utilize all possibilities with infiniSee to maximize your success rate.

The Swiss army knife of drug discovery

The benefits of BioSolveIT include outstanding all-round care. Our KNIME workflows are tailored to the very needs of every computational chemist, from drug discovery to compound evolution, and are free to download. They are customizable to fit your task and make the best of your in-house resources.
We support academics with free of charge tools for research purposes and encourage individual projects with our Scientific Challenge with licenses to our platforms and travel grants.
Decades of collaborations with big pharma industry and academia resulted in a track record of thousands of publications and clinical candidates. Our motivated team of experts can help you to accelerate your drug discovery process and create novel intellectual properties. Capitalize on our services including chemical space docking, virtual screening, analysis of structure-activity relationships, scaffold hopping, and target analysis. We and our versatile software suite covers every aspect of your small molecule discovery processes – be it molecular docking, fragment screening and build-up, binding pocket detection, toxicity predictions, problems with ADME properties, protein-protein interactions, pharmacophore models, chemical space set-up, and anything else.

Convince yourself and start discovering today.

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