Sometimes the perfect solution is within reach in your own compound library without realization. Involving distinct Chemical Spaces increases your chances of finding accessible molecules you would have missed otherwise. No matter how big your in-house library and no matter how many compounds you acquire to add to it, it will only be a tiny fraction of what your chemists are capable of synthesizing. 2019) due to the design and setup of the spaces, as well as the diversity of the employed building blocks. The number of identical structures in sets from different spaces was found to be extremely low (Lessel et al. The ingenious twist of infiniSee is the possibility of searching not only in colossal Chemical Spaces, but the ability to also comb through spaces of different origins. Optionally, you can define fuzzy pharmacophores to increase the diversity of scaffolds or request important molecular structures to be present in the hits. Results will be delivered within typically less than a minute on a standard laptop. infiniSee opens the possibility to screen billions of compounds through its similarity search technology by navigating vast Chemical Spaces and searching for distant neighbors of a query molecule. Sources of fragments can be either combinatorial libraries or any fragment-generating procedure. The underlying concept of infiniSee is strikingly easy: Instead of searching already “assembled” molecules, we instead perform a combinatorial build-up of compounds from “fragments”. With infiniSee you can finally compare apples and oranges. Given a template or query molecule, infiniSee returns similar molecules from these chemical spaces - or from screening libraries. Based on similarity, it finds molecules of interest in chemical spaces of (almost) infinite size. Working with BioSolvetIT infiniSee 4.3.0 full licenseĭescriptions: infiniSee is a virtual screening platform. Download BioSolvetIT infiniSee 4.3.0 full license 100% working Link download BioSolvetIT infiniSee 4.3.0 full cracked forever
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