The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching

Egon L. Willighagen, John W. Mayfield, Jonathan Alvarsson, Arvid Berg, Lars Carlsson, Nina Jeliazkova, Stefan Kuhn 0001, Tomás Pluskal, Miquel Rojas-Chertó, Ola Spjuth, Gilleain M. Torrance, Chris T. A. Evelo, Rajarshi Guha, Christoph Steinbeck. The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. J. Cheminformatics, 9(1), 2017. [doi]

Authors

Egon L. Willighagen

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John W. Mayfield

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Jonathan Alvarsson

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Arvid Berg

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Lars Carlsson

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Nina Jeliazkova

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Stefan Kuhn 0001

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Tomás Pluskal

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Miquel Rojas-Chertó

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Ola Spjuth

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Gilleain M. Torrance

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Chris T. A. Evelo

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Rajarshi Guha

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Christoph Steinbeck

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