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Background

2 Background

Graph enumeration has been studied for over a century and continues to be an active area of research.[6] Generation of structural isomers[2] has been a focus for structure elucidation.[3] Some methods are aimed at creating new ideas of potential pharmaceutical interest,[4] which typically involve constraints to bias the results towards ``drug-like'' molecules. To the authors knowledge, no one has ever assembled molecules using the Daylight Toolkits, and doing so would produce ``Genuine SMILES'', because they would be produced using the software founded on the language.


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