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The twelve properties were calculated using Chemistry development kit tool developed by Guha (http://rguha.net/code/java/cdkdesc.html) [60].
chemistry development kit.
chemspider ID. chemistry development kit.
Chemistry Development Kit. Carcinogenic Potency Database.
Other requirements: Java 1.8, The Chemistry Development Kit (version 1.5.4).
Chemistry Development Kit. Global Natural Products Social Networking.
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Further, a reaction enumeration algorithm for combinatorial chemistry based on existing methods of the Chemistry Development Kit is being developed.
The underlying chemical expert system is the Chemistry Development Kit (CDK) [3, 26] in its current development version 1.35.
We have restructured the chemical structure search facility to use Orchem [3] an Oracle chemistry plug-in using the Chemistry Development Kit [4].
The main Open Source cheminformatics libraries under active development are OpenBabel [1], the Chemistry Development Kit (CDK) [2], and the RDKit [3].
This program was developed in Java v1.7 using the Chemistry Development Kit library (version 1.4.19).
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