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WitrynaProducing this image: For a different type of Morgan (e.g. count) and radius = 1 instead of 2, as well as a different similarity metric (e.g. Tanimoto), the call becomes: ... Recap uses a set of chemical transformations mimicking common reactions carried out in the lab in order to decompose a molecule into a series of reasonable fragments. WitrynaPubChem is the world's largest collection of freely accessible chemical information. Search chemicals by name, molecular formula, structure, and other identifiers. Find chemical and physical properties, biological activities, safety and toxicity information, patents, literature citations and more. We are constantly adding new data and working ...
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