Get bit information with RDKit

RDKit is updated constantly not only function but also document. Today I read “Getting started with python” and found interesting code. http://www.rdkit.org/docs/GettingStartedInPython.html Now I can get bit information as smiles strings. Sample code is following. FindAtomEnvironmentOfRadiusN finds the bonds within a certain radius of an atom in a molecule. PathToSubmol returns molecule around environment. TestContinue reading “Get bit information with RDKit”

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