This model is a Chemprop neural network trained with a growth inhibition dataset. Authors screened ~7,500 molecules for those that inhibited the growth of A. baumannii in vitro. They discovered abaucin, an antibacterial compound with narrow-spectrum activity against A. baumannii.
eos3804chemprop-abaumanniiCompoundSingleClassificationScoreFloatSingleIf you use this model, please cite the original authors of the model and the Ersilia Model Hub.
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