THE CHEMISTRY DEVELOPMENT KIT (CDK) V2.0: ATOM TYPING, DEPICTION, MOLECULAR FORMULAS, AND SUBSTRUCTURE SEARCHING

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

Abstract Background The Chemistry Development Kit (CDK) is a widely used open source cheminformatics toolkit, providing data structures to represent chemical concepts along with methods to manipulate such structures and perform computations Axle;Idler on them.The library implements a wide variety of cheminformatics algorithms ranging from chemical

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