This project provides a full set of tools to predict bond dissociation energy (BDE) of non-cyclic bonds. Both the program to calcuate the descriptor, to predict energies and the relavant resource files including the configuration file, the trained machine learning models, the original data-set can be found in this project.

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Simply solve complex auth. Easy for devs to set up. Easy for non-devs to use. Icon
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Registered

2013-06-21