What is it about?
The article describes the latest version of a Java library software library to support cheminformatics applications. This article describes the improvements made in the past 10 years, is much faster and more feature complete.
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Why is it important?
Cheminformatics is a central, fundamental science underlying chemistry and biology. Applications vary from metabolite databases, organic chemistry retrosynthesis planning, drug discovery, to predictive toxicology.
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This page is a summary of: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching, Journal of Cheminformatics, June 2017, Springer Science + Business Media,
DOI: 10.1186/s13321-017-0220-4.
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