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Cheminformatics

Computing target complexity

How complex is it to synthesize a given molecular target? Can this be answered by a computer? Now, a model of synthetic complexity that factors in methodology developments has resulted in a complexity index that evolves alongside them.

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Figure 1: Current complexity.

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Correspondence to Johann Gasteiger.

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Gasteiger, J. Computing target complexity. Nature Chem 7, 619–620 (2015). https://doi.org/10.1038/nchem.2311

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