The Fréchet ChemNet distance is a metric to evaluate generative models. It unifies, in a single score, whether the generated molecules are valid according to chemical and biological properties as well as their diversity from the training set. The score measures the Fréchet Inception Distance between molecules represented by ChemNet, a deep neural network trained to predict biological and chemical properties of small molecules.
eos9be7chemnet-distanceCompoundPair of ListsSimilarityDistanceFloatSingleIf you use this model, please cite the original authors of the model and the Ersilia Model Hub.
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