BioSolvetIT infiniSee 5.1.0

InfiniSee is a navigation tool for your Chemical Space. InfiniSee searches for molecules that are similar to those found in libraries of screening or in Chemical Spaces with infinite sizes. InfiniSee can return unexpectedly similar molecules based on a template molecule or query molecule.

Start with a simple thought experiment. To fill a swimming pool of Olympic size with sand you will need approximately 10,000,000 coffee cups. This volume contains about 1013 grains. Imagine that these grains of sand are drug candidates, and you're looking for one golden molecule. High-throughput Virtual Screening (HTVS), which involves five to ten million compounds, is the equivalent of looking for a specific grain of sand in five to 10 cups of sand. Who can guarantee that a perfect molecule will be in the five to ten cups of sand you remove from the pool? The chances are at best 1 in a billion... Wouldn't you prefer to search the entire pool, or thousands of cups?

Uncover hidden possibilities
Search your own library or find actives in the large, 1014-structured spaces.

similarities infinisee
The visual representation of the similarity between your query and any hit molecules will help you select compounds with ease. InfiniSee shows you why something is similar.

Distant neighbors in action
Search compound libraries for scaffold hops. InfiniSee finds molecules that are far away at first glance, but very close in terms of chemistry and action.

Unlimited Access
In just a few days, you can go from virtual to vial! Chemical Space Navigation by infiniSee will only suggest what is most likely to form in the lab. Our partners allow us to deliver desired hits in a few weeks.

Find hidden similarities
InfiniSee lets you compare apples with oranges. InfiniSee's underlying concept is remarkably simple: Instead of searching for "assembled" molecules we perform a combinatorial building-up of compounds using "fragments". The fragments may be generated by combinatorial libraries, or any other fragment-generating procedures. InfiniSee's similarity search allows you to find millions of compounds by searching through vast Chemical Spaces. Results are delivered in less than one minute using a standard laptop. You can also define fuzzy pharmacophores in order to increase the variety of scaffolds, or specify that important molecular structure be included in the hits.

You can find your molecule anywhere
InfiniSee's clever twist is that it allows you to search not only colossal Chemical Spaces but also spaces with different origins. It was discovered that the number of identical sets in different spaces is extremely low (Lessel and al.). Due to the layout and design of the rooms, as well the diversity of building blocks used in the space. Your in-house compound library will never be enough to synthesize all the compounds your chemists can create. By involving distinct Chemical Spaces, you increase your chances of discovering molecules that would otherwise have been missed.

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Navigate through vast Chemical Spaces at unprecedented speed.

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Understand similarity in a glimpse, with intuitive color-coding.

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Self-explanatory interface. Simply drag your query and get started