Liu2023 - Acinetobacter baumannii growth inhibition prediction with Deep Learning

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.

Model Type: Predictive machine learning model.
Model Relevance: The model predicts the probability of growth inhibition of the bacteria A. Baumannii.
Model Encoded by: Miquel Duran-frigola (Ersilia)
Metadata Submitted in BioModels by: Zainab Ashimiyu-Abdusalam

Implementation of this model code by Ersilia is available here:
https://github.com/ersilia-os/eos3804