Cetane number (CN) quantifies the performance and efficiency of diesel fuels, and it is one of the criteria used to design biodiesel candidates. CNpred is the message-passing graph neural network model that predicts the CN of (bio)fuel candidates, including hydrocarbons and oxygenates. Only a 2D structure or SMILES string of a molecule is needed to obtain the predicted CN of a given molecule. The code, model, and database used to develop the model are available via GitHub. The website for CN prediction is also available. [GitHub-pure compounds] [GitHub-mixtures]

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